# Minimized with a chisquare of 0.068021. ################################################################################ # # File: Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 20:15:53 # # This file was created by software developed by the # Nucleic Acid Database Project # # H. M. Berman, W. K. Olson, D. L. Beveridge, J. D. Westbrook, A. Gelbin, # T. Demeny, S. H. Shieh, A. R. Srinivasan, and B. Schneider. (1992). # The Nucleic Acid Database: A Comprehensive Relational Database of # Three-Dimensional Structures of Nucleic Acids. Biophys J., 63, 751-759. # # Questions or comments should be directed to: # # # ndbadmin@ndbserver.rutgers.edu # ################################################################################ data_Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc # _chem_comp.id Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc _chem_comp.name ;protonated 2'-deoxycytidine-5'-phosphate ; _chem_comp.type 'DNA linking' _chem_comp.model_details ;Model constructed for protonated 2'-deoxycytidine-5'-phosphate from subcomponents for protonated base, sugar and phosphate. The sugar is deoxyribose in the C2'-endo conformation, and geometries for the gamma torsion angle (synclinal), the chi torsion angle (antiperiplanar), and the C3*-O3* and C5*-O5* bonds are inserted from other models. ; _chem_comp.parent . _chem_comp.formula 'H11 C9 N3 O7 P1 ' _chem_comp.formula_weight 304.20 _chem_comp.number_atoms_all 31 _chem_comp.number_atoms_nh 20 _chem_comp.ndb_formal_charge -1 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc cyt_pro base 'Model constructed for protonated cytosine with an N1-glycosidic linkage.' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc deoxyribose_C2endo_O3H_O5P_+sc sugar ;Model constructed for 1'-amino-2'-deoxyribose in the C2'-endo conformation. the gamma torsion (synclinal), the corresponding O4*-C4*-C5*-O5* torsion, and the C3*-O3* and C5*-O5* bond geometries are inserted from other models. ; Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc PO4 phosphate . # loop_ _chem_comp_link.link_id _chem_comp_link.type_comp_1 _chem_comp_link.type_comp_2 _chem_comp_link.ndb_comp_id_comp_1 _chem_comp_link.ndb_comp_id_comp_2 deoxyribose_pyrimidine sugar base deoxyribose_C2endo_O3H_O5P_+sc cyt_pro ribose_O5_PO4 sugar phosphate deoxyribose_C2endo_O3H_O5P_+sc PO4 # loop_ _ndb_dbsearch.db _ndb_dbsearch.sample_size _ndb_dbsearch.id _ndb_dbsearch.dbversion _ndb_dbsearch.time _ndb_dbsearch.dbreleasedate _ndb_dbsearch.comp_id csd 21 cyt_pro 512 ;Mon Dec 8 13:26:10 1997 ; 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 48 deoxyribose 512 ;Mon Dec 8 13:29:26 1997 ; 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 36 deoxyribose_C2endo_O3H 512 ;Mon Dec 8 13:41:39 1997 ; 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 10 deoxyribose_C2endo_O5P 512 ;Mon Dec 8 13:46:43 1997 ; 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 94 all_ribose_gamma 512 ;Mon Dec 8 14:31:38 1997 ; 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 33 deoxyribose_C2endo_pyrimidine 512 'Wed Jul 2 15:02:07 1997' 'Sep 15 19:34:11 BST 1996' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc csd 38 C2endo_pyrimidine_anti . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc 512 33 deoxyribose_C2endo_pyrimidine 'Sep 15 19:34:11 BST 1996' . 'Sat Aug 23 13:16:49 1997' Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.substruct_code _chem_comp_atom.charge _chem_comp_atom.model_cartn_x _chem_comp_atom.model_cartn_y _chem_comp_atom.model_cartn_z Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 N base 0 4.2132 0.0760 0.5473 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 C base 0 5.3118 0.9109 0.5220 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 N base 1 6.3546 0.5580 1.3467 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 C base 0 6.3660 -0.5431 2.1300 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C base 0 5.2227 -1.3733 2.1238 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 C base 0 4.1914 -1.0418 1.3349 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O2 O base 0 5.3654 1.8984 -0.1874 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N4 N base 0 7.4267 -0.7926 2.8641 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc H4A H base 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc H4B H base 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc H5 H base 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc H6 H base 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* C sugar 0 2.9511 0.6203 0.0226 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C sugar 0 3.0152 2.0862 -0.3648 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* C sugar 0 2.7264 2.7768 0.9509 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* C sugar 0 1.7476 1.8279 1.6349 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* C sugar 0 0.2887 2.2038 1.4685 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O3* O sugar 0 3.9290 2.8761 1.7138 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* O sugar 0 1.9723 0.5271 1.0444 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O5* O sugar 0 -0.0117 2.3925 0.0754 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HB2* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P P phosphate 0 0.3602 1.2770 -0.9995 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O1P O phosphate 0 1.3117 1.8203 -2.0018 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O2P O phosphate -1 -0.8649 0.5803 -1.4681 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O O phosphate -1 1.1111 0.2705 -0.2067 # loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id _chem_comp_chir.number_atoms_all _chem_comp_chir.number_atoms_nh _chem_comp_chir.volume_flag _chem_comp_chir.volume_three _chem_comp_chir.volume_three_esd _chem_comp_chir.ndb_plane_flag _chem_comp_chir.ndb_plane_three _chem_comp_chir.ndb_plane_three_esd Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.43 0.07 sign 53.02 1.49 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc 2 C3* 4 3 sign -2.69 0.07 sign -56.77 1.92 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc 3 C4* 4 3 sign 2.52 0.11 sign 51.85 2.29 # loop_ _chem_comp_chir_atom.chir_id _chem_comp_chir_atom.enum _chem_comp_chir_atom.comp_id _chem_comp_chir_atom.atom_id 1 1 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* 1 2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* 1 3 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N 2 1 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* 2 2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* 2 3 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O3* 3 1 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* 3 2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* 3 3 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 sing 1.3798 0.0117 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 N3 sing 1.3755 0.0161 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 doub 1.3515 0.0082 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 C5 sing 1.4131 0.0072 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C6 doub 1.3401 0.0101 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 N1 sing 1.3673 0.0094 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 O2 doub 1.2171 0.0128 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 N4 sing 1.3140 0.0127 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N4 H4A sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N4 H4B sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 H5 sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 H6 sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* C2* sing 1.5177 0.0085 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* sing 1.5139 0.0086 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* C4* sing 1.5250 0.0126 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* O4* sing 1.4458 0.0107 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* C1* sing 1.4177 0.0122 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* O3* sing 1.4276 0.0101 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* C5* sing 1.5158 0.0282 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* O5* sing 1.4377 0.0104 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* HA1* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* HA2* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* HB2* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* HA3* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* HA4* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* HA5* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* HB5* sing . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O sing 1.485 0.017 # loop_ _chem_link_bond.link_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_id_2 _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_2_comp_id _chem_link_bond.value_order _chem_link_bond.value_dist _chem_link_bond.value_dist_esd deoxyribose_pyrimidine C1* N1 1 2 sing 1.4714 0.0141 ribose_O5_PO4 P O5* 2 1 sing 1.593 0.010 # loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd _chem_comp_angle.value_dist _chem_comp_angle.value_dist_esd Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 N1 C2 121.38 0.82 2.40 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 N3 115.77 1.99 2.33 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 N3 C4 124.27 2.11 2.41 0.04 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 C5 118.03 1.57 2.37 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 C5 C6 118.65 0.86 2.37 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C6 N1 121.81 0.84 2.37 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 O2 122.57 1.72 2.28 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C2 O2 121.64 0.79 2.26 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 N4 119.01 0.99 2.30 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C4 N4 122.95 1.23 2.40 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* C2* C3* 102.17 1.20 2.36 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* C4* 103.13 0.98 2.38 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* C4* O4* 105.99 0.69 2.37 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* O4* C1* 109.90 0.81 2.34 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* C1* C2* 105.99 0.96 2.35 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* O3* 109.67 2.25 2.41 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* C3* O3* 110.06 2.19 2.42 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* C4* C3* 114.33 1.87 2.55 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* C4* O4* 109.15 1.77 2.41 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O5* C5* C4* 109.98 2.10 2.40 0.04 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O2P P O 107.3 3.2 . . # loop_ _chem_link_angle.link_id _chem_link_angle.atom_id_1 _chem_link_angle.atom_id_2 _chem_link_angle.atom_id_3 _chem_link_angle.atom_1_comp_id _chem_link_angle.atom_2_comp_id _chem_link_angle.atom_3_comp_id _chem_link_angle.value_angle _chem_link_angle.value_angle_esd _chem_link_angle.value_dist _chem_link_angle.value_dist_esd deoxyribose_pyrimidine N1 C1* O4* 2 1 1 108.15 0.62 2.3400 0.0100 deoxyribose_pyrimidine N1 C1* C2* 2 1 1 114.36 1.32 2.5100 0.0100 deoxyribose_pyrimidine C2 N1 C1* 2 2 1 117.91 1.44 2.4400 0.030 deoxyribose_pyrimidine C6 N1 C1* 2 2 1 120.52 1.29 2.4800 0.0300 ribose_O5_PO4 P O5* C5* 2 1 1 120.9 1.6 . . ribose_O5_PO4 O1P P O5* 2 2 1 110.7 1.2 . . ribose_O5_PO4 O2P P O5* 2 2 1 110.7 1.2 . . ribose_O5_PO4 O P O5* 2 2 1 104.0 1.9 . . # loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-O2 C6 N1 C2 O2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-N3-C2-O2 C4 N3 C2 O2 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-N4 C2 N3 C4 N4 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-C5-C4-N4 C6 C5 C4 N4 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* C1* C2* C3* O3* # _chem_link_tor.link_id deoxyribose_pyrimidine _chem_link_tor.id chi_anti_C2endo_pyrimidine _chem_link_tor.atom_id_1 O4* _chem_link_tor.atom_id_2 C1* _chem_link_tor.atom_id_3 N1 _chem_link_tor.atom_id_4 C2 _chem_link_tor.atom_1_comp_id 1 _chem_link_tor.atom_2_comp_id 1 _chem_link_tor.atom_3_comp_id 2 _chem_link_tor.atom_4_comp_id 2 # loop_ _chem_comp_tor_value.comp_id _chem_comp_tor_value.tor_id _chem_comp_tor_value.angle _chem_comp_tor_value.angle_esd _chem_comp_tor_value.dist _chem_comp_tor_value.dist_esd Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1-C2-N3-C4 1.42 2.24 2.74 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-C5 358.63 2.10 2.79 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3-C4-C5-C6 0.80 2.11 2.69 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-C5-C6-N1 359.60 1.10 2.74 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5-C6-N1-C2 0.48 1.66 2.79 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-N3 359.07 2.58 2.69 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-O2 178.69 2.43 3.51 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-N3-C2-O2 181.78 2.33 3.51 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-N4 178.99 2.06 3.59 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-C5-C4-N4 180.44 2.01 3.59 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 341.21 6.45 2.38 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 32.80 4.56 2.37 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 326.41 3.22 2.34 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 23.45 4.79 2.35 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 356.93 6.58 2.36 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 263.15 5.23 3.28 0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 146.20 5.54 3.71 0.05 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 266.50 5.07 3.13 0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 120.54 7.03 3.41 0.05 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 83.64 3.71 2.99 0.06 # _chem_link_tor_value.link_id deoxyribose_pyrimidine _chem_link_tor_value.tor_id chi_anti_C2endo_pyrimidine _chem_link_tor_value.angle 237.0 _chem_link_tor_value.angle_esd 24.3 _chem_link_tor_value.dist . _chem_link_tor_value.dist_esd . # loop_ _ndb_chem_comp_bond.comp_id _ndb_chem_comp_bond.atom_id_1 _ndb_chem_comp_bond.atom_id_2 _ndb_chem_comp_bond.csd_bond_order _ndb_chem_comp_bond.dbsearch_id _ndb_chem_comp_bond.value_dist_calc _ndb_chem_comp_bond.value_dist _ndb_chem_comp_bond.value_dist_delta Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' cyt_pro 1.3801 1.3798 -0.0003 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' cyt_pro 1.3755 1.3755 0.0000 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' cyt_pro 1.3513 1.3515 0.0002 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' cyt_pro 1.4129 1.4131 0.0002 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' cyt_pro 1.3401 1.3401 0.0000 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' cyt_pro 1.3676 1.3673 -0.0003 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 O2 '1,2,5 ' cyt_pro 1.2172 1.2171 -0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 N4 '1,2,5 ' cyt_pro 1.3139 1.3140 0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N4 H4A 1 cyt_pro . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N4 H4B 1 cyt_pro . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 H5 1 cyt_pro . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 H6 1 cyt_pro . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* C2* 1 deoxyribose 1.5176 1.5177 0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* 1 deoxyribose 1.5137 1.5139 0.0002 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* C4* 1 deoxyribose 1.5252 1.5250 -0.0002 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* O4* 1 deoxyribose 1.4461 1.4458 -0.0003 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* C1* 1 deoxyribose 1.4180 1.4177 -0.0003 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* O3* '1 A' deoxyribose_C2endo_O3H 1.4276 1.4276 0.0000 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* C5* 1 deoxyribose 1.5157 1.5158 0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* O5* '1 A' deoxyribose_C2endo_O5P 1.4376 1.4377 0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* HA1* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* HA2* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* HB2* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* HA3* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* HA4* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* HA5* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* HB5* 1 deoxyribose . . . Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4849 1.4850 0.0001 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4852 1.4850 -0.0002 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4850 1.4850 0.0000 # loop_ _ndb_chem_link_bond.link_id _ndb_chem_link_bond.dbsearch_id _ndb_chem_link_bond.atom_id_1 _ndb_chem_link_bond.atom_id_2 _ndb_chem_link_bond.atom_1_comp_id _ndb_chem_link_bond.atom_2_comp_id _ndb_chem_link_bond.value_dist_calc _ndb_chem_link_bond.value_dist _ndb_chem_link_bond.value_dist_delta deoxyribose_pyrimidine deoxyribose_C2endo_pyrimidine C1* N1 1 2 1.4712 1.4714 0.0002 ribose_O5_PO4 phosphate_O5_1 P O5* 2 1 1.5931 1.5930 -0.0001 # loop_ _ndb_chem_comp_angle.comp_id _ndb_chem_comp_angle.atom_id_1 _ndb_chem_comp_angle.atom_id_2 _ndb_chem_comp_angle.atom_id_3 _ndb_chem_comp_angle.dbsearch_id _ndb_chem_comp_angle.value_angle_calc _ndb_chem_comp_angle.value_angle _ndb_chem_comp_angle.value_angle_delta Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6 N1 C2 cyt_pro 121.18 121.38 0.20 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 N3 cyt_pro 115.94 115.77 -0.17 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2 N3 C4 cyt_pro 124.26 124.27 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 C5 cyt_pro 118.00 118.03 0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4 C5 C6 cyt_pro 118.68 118.65 -0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C6 N1 cyt_pro 121.93 121.81 -0.12 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1 C2 O2 cyt_pro 122.45 122.57 0.12 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C2 O2 cyt_pro 121.62 121.64 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3 C4 N4 cyt_pro 119.03 119.01 -0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5 C4 N4 cyt_pro 122.97 122.95 -0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1* C2* C3* deoxyribose 102.17 102.17 0.00 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* C4* deoxyribose 103.20 103.13 -0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3* C4* O4* deoxyribose 106.07 105.99 -0.08 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* O4* C1* deoxyribose 110.02 109.90 -0.12 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4* C1* C2* deoxyribose 106.06 105.99 -0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2* C3* O3* deoxyribose 109.61 109.67 0.06 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4* C3* O3* deoxyribose 110.13 110.06 -0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* C4* C3* deoxyribose 114.47 114.33 -0.14 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5* C4* O4* deoxyribose 109.13 109.15 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O5* C5* C4* deoxyribose 109.88 109.98 0.10 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.16 119.60 0.44 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.52 108.30 1.78 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.52 107.30 1.78 # loop_ _ndb_chem_link_angle.link_id _ndb_chem_link_angle.dbsearch_id _ndb_chem_link_angle.atom_id_1 _ndb_chem_link_angle.atom_id_2 _ndb_chem_link_angle.atom_id_3 _ndb_chem_link_angle.atom_1_comp_id _ndb_chem_link_angle.atom_2_comp_id _ndb_chem_link_angle.atom_3_comp_id _ndb_chem_link_angle.value_angle_calc _ndb_chem_link_angle.value_angle _ndb_chem_link_angle.value_angle_delta deoxyribose_pyrimidine deoxyribose_C2endo_pyrimidine N1 C1* O4* 2 1 1 108.1106 108.1500 0.0394 deoxyribose_pyrimidine deoxyribose_C2endo_pyrimidine N1 C1* C2* 2 1 1 114.3404 114.3600 0.0196 deoxyribose_pyrimidine deoxyribose_C2endo_pyrimidine C2 N1 C1* 2 2 1 116.9108 117.9100 0.9992 deoxyribose_pyrimidine deoxyribose_C2endo_pyrimidine C6 N1 C1* 2 2 1 119.6097 120.5200 0.9103 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 120.8780 120.9000 0.0220 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4137 110.7000 0.2863 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4096 110.7000 0.2904 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4351 104.0000 0.5649 # loop_ _ndb_chem_comp_tor.comp_id _ndb_chem_comp_tor.id _ndb_chem_comp_tor.dbsearch_id _ndb_chem_comp_tor.value_angle_calc _ndb_chem_comp_tor.value_angle _ndb_chem_comp_tor.value_angle_delta Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N1-C2-N3-C4 cyt_pro 1.47 1.42 -0.05 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-C5 cyt_pro 358.66 358.63 -0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc N3-C4-C5-C6 cyt_pro 0.75 0.80 0.05 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-C5-C6-N1 cyt_pro 359.59 359.60 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5-C6-N1-C2 cyt_pro 0.59 0.48 -0.11 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-N3 cyt_pro 358.95 359.07 0.12 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-N1-C2-O2 cyt_pro 178.68 178.69 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4-N3-C2-O2 cyt_pro 181.74 181.78 0.04 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2-N3-C4-N4 cyt_pro 178.98 178.99 0.01 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C6-C5-C4-N4 cyt_pro 180.42 180.44 0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* deoxyribose 340.82 341.21 0.39 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* deoxyribose 33.17 32.80 -0.37 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* deoxyribose 326.18 326.41 0.23 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* deoxyribose 23.47 23.45 -0.02 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* deoxyribose 357.18 356.93 -0.25 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* deoxyribose 263.08 263.15 0.07 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 52.34 52.19 -0.15 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* deoxyribose 146.14 146.20 0.06 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* deoxyribose 266.53 266.50 -0.03 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 293.67 293.22 -0.45 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* deoxyribose 120.97 120.54 -0.43 Cpro_deoxyriboseC2endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* deoxyribose 83.49 83.64 0.15 # _ndb_chem_link_tor.link_id deoxyribose_pyrimidine _ndb_chem_link_tor.id chi_anti_C2endo_pyrimidine _ndb_chem_link_tor.dbsearch_id C2endo_pyrimidine_anti _ndb_chem_link_tor.value_angle_calc 236.99 _ndb_chem_link_tor.value_angle 237.00 _ndb_chem_link_tor.value_angle_delta 0.01 # loop_ _ndb_dbitem.id _ndb_dbitem.dbsearch_id _ndb_dbitem.molecule_id _ndb_dbitem.r_factor _ndb_dbitem.sigma _ndb_dbitem.compound _ndb_dbitem.citation aracyp cyt_pro 1 3.40 0.001-0.005A ;ARABINOSYL-CYTIDINE-2',5'-CYCLIC PHOSPHATE ; 'W.KUNG,R.E.MARSH,M.KAINOSHO 1977, J.AM.CHEM.SOC., 99, 5471' arfcyt10 cyt_pro 1 2.20 0.001-0.005A '1-(BETA-D-ARABINOFURANOSYL)CYTOSINE HYDROCHLORIDE (ABSOLUTE CONFIGURATION)' 'J.S.SHERFINSKI,R.E.MARSH 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 192' bzcytn cyt_pro 1 4.60 0.001-0.005A '1-BENZYLCYTOSINE NITRATE' ;M.ROSSI,J.P.CARADONNA,L.G.MARZILLI,T.J.KISTENMACHER 1979, ADV.MOL.RELAX.INT.PROC., 15, 103 ; cyticl cyt_pro 1 2.80 0.001-0.005A 'CYTIDINIUM CHLORIDE' 'A.MOSSET,J.J.BONNET,J.GALY 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1908' cytidn cyt_pro 1 2.60 0.006-0.010A 'CYTIDINIUM NITRATE' ;J.J.GUY,L.R.NASSIMBENI,G.M.SHELDRICK,R.TAYLOR 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2909 ; dinyii10 cyt_pro 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 cyt_pro 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' docytc cyt_pro 1 3.50 0.001-0.005A ;2'-DEOXYCYTIDINE HYDROCHLORIDE (ABSOLUTE CONFIGURATION) ; 'E.SUBRAMANIAN,D.J.HUNT 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 303' jibdih cyt_pro 1 3.00 0.001-0.005A ;2'-DEOXYCYTIDINIUM DIHYDROGENPHOSPHATE ; 'M.JASKOLSKI 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 153' kogbox cyt_pro 1 3.10 0.001-0.005A ;2'-DEOXY-2'-METHYLIDENECYTIDINE HYDROCHLORIDE (POTENT ANTICANCER ACTIVITY IN CULTURE AND IN TUMOUR-BEARING MICE) ; ;TAI-SHUN LIN,MEI-ZHEN LUO,MAO-CHIN LIU,R.H.CLARKE-KATZENBURG,YUNG-CHI CHENG,W.H.PRUSOFF,W.R.MANCINI,G.I.BIRNBAUM,E.J.GABE,J.GIZIEWICZ 1991, J.MED.CHEM., 34, 2607 ; kogbox01 cyt_pro 1 4.50 0.006-0.010A ;2'-DEOXY-2'-METHYLIDENECYTIDINIUM CHLORIDE (POTENT INHIBITORY AGENT OF THE GROWTH OF TUMOUR CELLS) ; ;Y.YAMAGATA,K.TOMITA,N.MARUBAYASHI,I.UEDA,S.SAKATA,A.MATSUDA,K.TAKENUKI,T.UEDA 1992, NUCLEOSIDES AND NUCLEOTIDES, 11, 835 ; mectsi cyt_pro 1 4.50 0.001-0.005A 'BIS(1-METHYLCYTOSINE) BIS(1-METHYLCYTOSINIUM) HEXAFLUOROSILICATE DIHYDRATE' ;T.J.KISTENMACHER,M.ROSSI,C.C.CHIANG,J.P.CARADONNA,L.G.MARZILLI 1980, ADV.MOL.RELAX.INT.PROC., 17, 113 ; mectsi cyt_pro 2 4.50 0.001-0.005A 'BIS(1-METHYLCYTOSINE) BIS(1-METHYLCYTOSINIUM) HEXAFLUOROSILICATE DIHYDRATE' ;T.J.KISTENMACHER,M.ROSSI,C.C.CHIANG,J.P.CARADONNA,L.G.MARZILLI 1980, ADV.MOL.RELAX.INT.PROC., 17, 113 ; poggat cyt_pro 1 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat cyt_pro 2 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat cyt_pro 3 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat cyt_pro 4 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; vuymad cyt_pro 1 2.90 0.001-0.005A 'CYTIDINIUM DIHYDROGENPHOSPHATE' 'M.JASKOLSKI 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 85' xfurcc10 cyt_pro 1 3.40 0.001-0.005A '1-ALPHA-D-XYLOFURANOSYL-CYTOSINE HYDROCHLORIDE' 'M.L.POST,C.P.HUBER,G.I.BIRNBAUM,D.SHUGAR 1981, CAN.J.CHEM., 59, 238' yidkif cyt_pro 1 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' yidkif cyt_pro 2 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' boxgie deoxyribose 1 4.50 0.006-0.010A ;DISODIUM DEOXYCYTIDINE-5'-PHOSPHATE HEPTAHYDRATE ; ;J.PANDIT,T.P.SESHADRI,M.A.VISWAMITRA 1983, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 39, 342 ; cldour deoxyribose 1 3.80 0.001-0.005A '5-CHLORO-2'-DEOXYURIDINE' 'D.W.YOUNG,E.M.MORRIS 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 1259' defpot deoxyribose 1 3.70 0.001-0.005A 'N-6--METHYL-2'-DEOXYADENOSINE' 'T.SATO 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1624' dinyii10 deoxyribose 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 deoxyribose 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 deoxyribose 3 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 deoxyribose 4 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' duhhuj deoxyribose 1 2.70 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYURIDINE (ANTIVIRAL AGENT) ; ;O.A.L.EL-KABBANI,I.EKIEL,L.T.J.DELBAERE,G.TOURIGNY,A.L.STUART,S.V.GUPTA 1986, NUCLEOSIDES AND NUCLEOTIDES, 5, 95 ; dumtou deoxyribose 1 4.20 0.001-0.005A (-)-CIS-(5S,6S)-5-HYDROXY-5-METHYL-6-ETHYLAMINO-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,T.TAGA,K.MACHIDA,J.CADET,F.YONEDA 1986, J.CHEM.SOC.,CHEM.COMM.,, 1469 ; dumtou10 deoxyribose 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ETHYLAMINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; dxcytd01 deoxyribose 1 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' dxcytd01 deoxyribose 2 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' dxcytd01 deoxyribose 3 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' etyxur deoxyribose 1 3.85 0.001-0.005A '5-ETHYNYL-2'-DEOXYURIDINE' 'P.J.BARR,T.A.HAMOR,R.T.WALKER 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2799' fikhai deoxyribose 1 5.40 0.001-0.005A '2'-DEOXY-3',5'-DI-O-ACETYL-ADENOSINE' 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1987, CAN.J.CHEM., 65, 326' fikhai01 deoxyribose 1 4.80 0.006-0.010A '3',5'-DI-O-ACETYL-2'-DEOXYADENOSINE' 'J.N.LOW,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 2202' fmdurd02 deoxyribose 1 3.30 0.006-0.010A '5-TRIFLUOROMETHYL-2'-DEOXYURIDINE' 'T.SATO 1989, ANAL.SCI., 5, 117' foylua deoxyribose 1 4.40 0.001-0.005A '3'-O-ACETYL-2'-DEOXYADENOSINE' ;J.N.LOW,P.TOLLIN,R.A.HOWIE 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 2184 ; gebtem deoxyribose 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' gergal deoxyribose 1 2.90 0.001-0.005A '5-METHYL-2'-DEOXYCYTIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 870' gexxiq deoxyribose 1 4.90 0.001-0.005A ;3'-O-ACETYLTHYMIDINE (ORTHORHOMBIC FORM) ; ;R.S.ECCLESTON,C.C.WILSON,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1424 ; gexxiq01 deoxyribose 1 5.00 0.006-0.010A ;3'-O-ACETYLTHYMIDINE (HEXAGONAL FORM) ; 'A.SCHOUTEN,J.A.KANTERS 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1320' geyces deoxyribose 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ANILINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; ipdxur deoxyribose 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' ;M.CZUGLER,A.KALMAN,J.T.SAGI,A.SZABOLCS,L.OTVOS 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1626 ; ipdxur01 deoxyribose 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' 'C.MATYAS,K.ALAKOS 1993, ACTA PHARM.HUNG., 63, 193' jafhih deoxyribose 1 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jafhih deoxyribose 2 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jibdih deoxyribose 1 3.00 0.001-0.005A ;2'-DEOXYCYTIDINIUM DIHYDROGENPHOSPHATE ; 'M.JASKOLSKI 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 153' jubvor deoxyribose 1 4.37 0.001-0.005A ;1-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-6,7-DIPHENYL-LUMAZINE (AT 183 DEG.K) ; ;XIAODONG CAO,W.PFLEIDERER,H.ROSEMEYER,F.SEELA,W.BANNWARTH,P.SCHONHOLZER 1992, HELV.CHIM.ACTA, 75, 1267 ; keclot deoxyribose 1 4.30 0.006-0.010A ;8-AMINO-3,10-DIHYDRO-10-OXO-3-(BETA-D-2-DEOXYRIBOFURANOSYL)-3H-1,3,5-TRIAZINO(1,2-A)PURINE MONOHYDRATE DIDA'-METAMORPHOSINE MONOHYDRATE ; 'S.KUMAR,F.T.OAKES,S.R.WILSON,N.J.LEONARD 1988, HETEROCYCLES, 27, 2891' lijzin deoxyribose 1 5.20 0.006-0.010A ;5-ETHYL-2'-DEOXYCYTIDINE (POTENTIAL ANTIVIRAL AGENT) ; ;S.NAPPER,A.L.STUART,S.V.P.KUMAR,V.S.GUPTA,L.T.J.DELBAERE 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 96 ; poggat deoxyribose 1 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose 2 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose 3 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose 4 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; pryurd10 deoxyribose 1 2.70 0.006-0.010A '5-(2-PROPYNYLOXY)-2'-DEOXYURIDINE' 'G.S.D.KING,L.SENGIER-ROBERTS 1982, J.CHEM.RES., 25, 722' sifkex deoxyribose 1 2.80 0.001-0.005A ;5-((1S,2S)-2-CHLOROCYCLOPROPYL)-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)URACIL (ABSOLUTE CONFIGURATION) ; ;S.C.MOSIMANN,B.D.SANTARSIERO,M.N.G.JAMES,M.TANDON,L.I.WIEBE,E.E.KNAUS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 2115 ; thydin deoxyribose 1 6.60 0.006-0.010A ;THYMIDINE (FOR STEREOISOMER SEE THYMDN.) 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-METHYLURACIL ; 'D.W.YOUNG,P.TOLLIN,H.R.WILSON 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 1423' thydin01 deoxyribose 1 4.40 0.001-0.005A ;THYMIDINE (FOR STEREOISOMER SEE THYMDN.) 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-METHYLURACIL ; 'A.N.CHEKHLOV 1995, ZH.STRUKT.KHIM., 36, 178' vexdor deoxyribose 1 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; vexdor deoxyribose 2 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; wisgek deoxyribose 1 2.90 0.001-0.005A ;2'-DEOXYCYTIDINE-N3-CYANOBORANE (P212121 FORM) ; ;QI GAO,A.SOOD,B.R.SHAW,L.D.WILLIAMS 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 1823 ; yevjak deoxyribose 2 6.70 0.006-0.010A '3',5'-DI-O-ACETYL-3-NITROTHYMIDINE' ;X.ARIZA,V.BOU,J.VILARRASA,V.TERESHKO,J.L.CAMPOS 1994, ANGEW.CHEM.,INT.ED.ENGL., 33, 2454 ; yilyat deoxyribose 1 6.00 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) PERCHLORATE HEMIHYDRATE ; 'M.JASKOLSKI,A.MYSZKA,M.GILSKI,M.ALEJSKA,N.MALINOWSKA 1993, POL.J.CHEM., 67, 745' zasquf deoxyribose 1 3.80 0.001-0.005A ;3'-O-METHYLTHIOMETHYLTHYMIDINE MONOHYDRATE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zasram deoxyribose 1 2.80 0.001-0.005A ;3'-O-METHYLSULFINYLMETHYLTHYMIDINE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zedhev deoxyribose 1 6.30 0.006-0.010A ;(1R,6R)-7,7,8,8-TETRAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' zedhiz deoxyribose 1 5.40 0.006-0.010A ;(1S,6S)-6,7,7,8,8-PENTAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' boxgie deoxyribose_C2endo_O3H 1 4.50 0.006-0.010A ;DISODIUM DEOXYCYTIDINE-5'-PHOSPHATE HEPTAHYDRATE ; ;J.PANDIT,T.P.SESHADRI,M.A.VISWAMITRA 1983, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 39, 342 ; cldour deoxyribose_C2endo_O3H 1 3.80 0.001-0.005A '5-CHLORO-2'-DEOXYURIDINE' 'D.W.YOUNG,E.M.MORRIS 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 1259' defpot deoxyribose_C2endo_O3H 1 3.70 0.001-0.005A 'N-6--METHYL-2'-DEOXYADENOSINE' 'T.SATO 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1624' dinyii10 deoxyribose_C2endo_O3H 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 deoxyribose_C2endo_O3H 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' duhhuj deoxyribose_C2endo_O3H 1 2.70 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYURIDINE (ANTIVIRAL AGENT) ; ;O.A.L.EL-KABBANI,I.EKIEL,L.T.J.DELBAERE,G.TOURIGNY,A.L.STUART,S.V.GUPTA 1986, NUCLEOSIDES AND NUCLEOTIDES, 5, 95 ; dumtou deoxyribose_C2endo_O3H 1 4.20 0.001-0.005A (-)-CIS-(5S,6S)-5-HYDROXY-5-METHYL-6-ETHYLAMINO-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,T.TAGA,K.MACHIDA,J.CADET,F.YONEDA 1986, J.CHEM.SOC.,CHEM.COMM.,, 1469 ; dumtou10 deoxyribose_C2endo_O3H 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ETHYLAMINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; dxcytd01 deoxyribose_C2endo_O3H 1 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' dxcytd01 deoxyribose_C2endo_O3H 2 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' dxcytd01 deoxyribose_C2endo_O3H 3 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' etyxur deoxyribose_C2endo_O3H 1 3.85 0.001-0.005A '5-ETHYNYL-2'-DEOXYURIDINE' 'P.J.BARR,T.A.HAMOR,R.T.WALKER 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2799' fmdurd02 deoxyribose_C2endo_O3H 1 3.30 0.006-0.010A '5-TRIFLUOROMETHYL-2'-DEOXYURIDINE' 'T.SATO 1989, ANAL.SCI., 5, 117' gebtem deoxyribose_C2endo_O3H 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' gergal deoxyribose_C2endo_O3H 1 2.90 0.001-0.005A '5-METHYL-2'-DEOXYCYTIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 870' geyces deoxyribose_C2endo_O3H 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ANILINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; ipdxur deoxyribose_C2endo_O3H 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' ;M.CZUGLER,A.KALMAN,J.T.SAGI,A.SZABOLCS,L.OTVOS 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1626 ; ipdxur01 deoxyribose_C2endo_O3H 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' 'C.MATYAS,K.ALAKOS 1993, ACTA PHARM.HUNG., 63, 193' jibdih deoxyribose_C2endo_O3H 1 3.00 0.001-0.005A ;2'-DEOXYCYTIDINIUM DIHYDROGENPHOSPHATE ; 'M.JASKOLSKI 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 153' jubvor deoxyribose_C2endo_O3H 1 4.37 0.001-0.005A ;1-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-6,7-DIPHENYL-LUMAZINE (AT 183 DEG.K) ; ;XIAODONG CAO,W.PFLEIDERER,H.ROSEMEYER,F.SEELA,W.BANNWARTH,P.SCHONHOLZER 1992, HELV.CHIM.ACTA, 75, 1267 ; keclot deoxyribose_C2endo_O3H 1 4.30 0.006-0.010A ;8-AMINO-3,10-DIHYDRO-10-OXO-3-(BETA-D-2-DEOXYRIBOFURANOSYL)-3H-1,3,5-TRIAZINO(1,2-A)PURINE MONOHYDRATE DIDA'-METAMORPHOSINE MONOHYDRATE ; 'S.KUMAR,F.T.OAKES,S.R.WILSON,N.J.LEONARD 1988, HETEROCYCLES, 27, 2891' lijzin deoxyribose_C2endo_O3H 1 5.20 0.006-0.010A ;5-ETHYL-2'-DEOXYCYTIDINE (POTENTIAL ANTIVIRAL AGENT) ; ;S.NAPPER,A.L.STUART,S.V.P.KUMAR,V.S.GUPTA,L.T.J.DELBAERE 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 96 ; poggat deoxyribose_C2endo_O3H 1 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose_C2endo_O3H 2 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose_C2endo_O3H 3 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat deoxyribose_C2endo_O3H 4 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; pryurd10 deoxyribose_C2endo_O3H 1 2.70 0.006-0.010A '5-(2-PROPYNYLOXY)-2'-DEOXYURIDINE' 'G.S.D.KING,L.SENGIER-ROBERTS 1982, J.CHEM.RES., 25, 722' sifkex deoxyribose_C2endo_O3H 1 2.80 0.001-0.005A ;5-((1S,2S)-2-CHLOROCYCLOPROPYL)-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)URACIL (ABSOLUTE CONFIGURATION) ; ;S.C.MOSIMANN,B.D.SANTARSIERO,M.N.G.JAMES,M.TANDON,L.I.WIEBE,E.E.KNAUS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 2115 ; thydin deoxyribose_C2endo_O3H 1 6.60 0.006-0.010A ;THYMIDINE (FOR STEREOISOMER SEE THYMDN.) 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-METHYLURACIL ; 'D.W.YOUNG,P.TOLLIN,H.R.WILSON 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 1423' thydin01 deoxyribose_C2endo_O3H 1 4.40 0.001-0.005A ;THYMIDINE (FOR STEREOISOMER SEE THYMDN.) 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-5-METHYLURACIL ; 'A.N.CHEKHLOV 1995, ZH.STRUKT.KHIM., 36, 178' vexdor deoxyribose_C2endo_O3H 1 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; vexdor deoxyribose_C2endo_O3H 2 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; wisgek deoxyribose_C2endo_O3H 1 2.90 0.001-0.005A ;2'-DEOXYCYTIDINE-N3-CYANOBORANE (P212121 FORM) ; ;QI GAO,A.SOOD,B.R.SHAW,L.D.WILLIAMS 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 1823 ; yilyat deoxyribose_C2endo_O3H 1 6.00 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) PERCHLORATE HEMIHYDRATE ; 'M.JASKOLSKI,A.MYSZKA,M.GILSKI,M.ALEJSKA,N.MALINOWSKA 1993, POL.J.CHEM., 67, 745' zedhev deoxyribose_C2endo_O3H 1 6.30 0.006-0.010A ;(1R,6R)-7,7,8,8-TETRAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' zedhiz deoxyribose_C2endo_O3H 1 5.40 0.006-0.010A ;(1S,6S)-6,7,7,8,8-PENTAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' boxgie deoxyribose_C2endo_O5P 1 4.50 0.006-0.010A ;DISODIUM DEOXYCYTIDINE-5'-PHOSPHATE HEPTAHYDRATE ; ;J.PANDIT,T.P.SESHADRI,M.A.VISWAMITRA 1983, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 39, 342 ; dinyii10 deoxyribose_C2endo_O5P 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 deoxyribose_C2endo_O5P 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' fikhai deoxyribose_C2endo_O5P 1 5.40 0.001-0.005A '2'-DEOXY-3',5'-DI-O-ACETYL-ADENOSINE' 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1987, CAN.J.CHEM., 65, 326' fikhai01 deoxyribose_C2endo_O5P 1 4.80 0.006-0.010A '3',5'-DI-O-ACETYL-2'-DEOXYADENOSINE' 'J.N.LOW,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 2202' gebtem deoxyribose_C2endo_O5P 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' jafhih deoxyribose_C2endo_O5P 1 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jafhih deoxyribose_C2endo_O5P 2 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' yevjak deoxyribose_C2endo_O5P 1 6.70 0.006-0.010A '3',5'-DI-O-ACETYL-3-NITROTHYMIDINE' ;X.ARIZA,V.BOU,J.VILARRASA,V.TERESHKO,J.L.CAMPOS 1994, ANGEW.CHEM.,INT.ED.ENGL., 33, 2454 ; yevjak deoxyribose_C2endo_O5P 2 6.70 0.006-0.010A '3',5'-DI-O-ACETYL-3-NITROTHYMIDINE' ;X.ARIZA,V.BOU,J.VILARRASA,V.TERESHKO,J.L.CAMPOS 1994, ANGEW.CHEM.,INT.ED.ENGL., 33, 2454 ; dinyii10 all_ribose_gamma 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 3 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 4 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' duhhuj all_ribose_gamma 1 2.70 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYURIDINE (ANTIVIRAL AGENT) ; ;O.A.L.EL-KABBANI,I.EKIEL,L.T.J.DELBAERE,G.TOURIGNY,A.L.STUART,S.V.GUPTA 1986, NUCLEOSIDES AND NUCLEOTIDES, 5, 95 ; dumtou all_ribose_gamma 1 4.20 0.001-0.005A (-)-CIS-(5S,6S)-5-HYDROXY-5-METHYL-6-ETHYLAMINO-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,T.TAGA,K.MACHIDA,J.CADET,F.YONEDA 1986, J.CHEM.SOC.,CHEM.COMM.,, 1469 ; dumtou10 all_ribose_gamma 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ETHYLAMINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; fmdurd02 all_ribose_gamma 1 3.30 0.006-0.010A '5-TRIFLUOROMETHYL-2'-DEOXYURIDINE' 'T.SATO 1989, ANAL.SCI., 5, 117' foylua all_ribose_gamma 1 4.40 0.001-0.005A '3'-O-ACETYL-2'-DEOXYADENOSINE' ;J.N.LOW,P.TOLLIN,R.A.HOWIE 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 2184 ; gexxiq all_ribose_gamma 1 4.90 0.001-0.005A ;3'-O-ACETYLTHYMIDINE (ORTHORHOMBIC FORM) ; ;R.S.ECCLESTON,C.C.WILSON,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1424 ; gexxiq01 all_ribose_gamma 1 5.00 0.006-0.010A ;3'-O-ACETYLTHYMIDINE (HEXAGONAL FORM) ; 'A.SCHOUTEN,J.A.KANTERS 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1320' ipdxur all_ribose_gamma 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' ;M.CZUGLER,A.KALMAN,J.T.SAGI,A.SZABOLCS,L.OTVOS 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1626 ; ipdxur01 all_ribose_gamma 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' 'C.MATYAS,K.ALAKOS 1993, ACTA PHARM.HUNG., 63, 193' jafhih all_ribose_gamma 2 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jibdih all_ribose_gamma 1 3.00 0.001-0.005A ;2'-DEOXYCYTIDINIUM DIHYDROGENPHOSPHATE ; 'M.JASKOLSKI 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 153' jubvor all_ribose_gamma 1 4.37 0.001-0.005A ;1-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-6,7-DIPHENYL-LUMAZINE (AT 183 DEG.K) ; ;XIAODONG CAO,W.PFLEIDERER,H.ROSEMEYER,F.SEELA,W.BANNWARTH,P.SCHONHOLZER 1992, HELV.CHIM.ACTA, 75, 1267 ; keclot all_ribose_gamma 1 4.30 0.006-0.010A ;8-AMINO-3,10-DIHYDRO-10-OXO-3-(BETA-D-2-DEOXYRIBOFURANOSYL)-3H-1,3,5-TRIAZINO(1,2-A)PURINE MONOHYDRATE DIDA'-METAMORPHOSINE MONOHYDRATE ; 'S.KUMAR,F.T.OAKES,S.R.WILSON,N.J.LEONARD 1988, HETEROCYCLES, 27, 2891' poggat all_ribose_gamma 1 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 2 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 3 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 4 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; pryurd10 all_ribose_gamma 1 2.70 0.006-0.010A '5-(2-PROPYNYLOXY)-2'-DEOXYURIDINE' 'G.S.D.KING,L.SENGIER-ROBERTS 1982, J.CHEM.RES., 25, 722' sifkex all_ribose_gamma 1 2.80 0.001-0.005A ;5-((1S,2S)-2-CHLOROCYCLOPROPYL)-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)URACIL (ABSOLUTE CONFIGURATION) ; ;S.C.MOSIMANN,B.D.SANTARSIERO,M.N.G.JAMES,M.TANDON,L.I.WIEBE,E.E.KNAUS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 2115 ; vexdor all_ribose_gamma 1 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; vexdor all_ribose_gamma 2 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; zasquf all_ribose_gamma 1 3.80 0.001-0.005A ;3'-O-METHYLTHIOMETHYLTHYMIDINE MONOHYDRATE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zasram all_ribose_gamma 1 2.80 0.001-0.005A ;3'-O-METHYLSULFINYLMETHYLTHYMIDINE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zedhiz all_ribose_gamma 1 5.40 0.006-0.010A ;(1S,6S)-6,7,7,8,8-PENTAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' docytc all_ribose_gamma 1 3.50 0.001-0.005A ;2'-DEOXYCYTIDINE HYDROCHLORIDE (ABSOLUTE CONFIGURATION) ; 'E.SUBRAMANIAN,D.J.HUNT 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 303' gidtiw all_ribose_gamma 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' zozvuf all_ribose_gamma 1 4.56 0.001-0.005A ;(4-AMINO-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1H-3-PYRIMIDINIO)(CYANO)BORATE MONOHYDRATE (IN VIVO ANTINEOPLASTIC ACTIVITY AGAINST VARIOUS TUMORS, WITH POTENTIAL USE IN BORON NEUTRON-CAPTURE THERAPY FOR BRAIN CANCER) 2'-DEOXYCYTIDINE-N(3)-CYANOBORANE MONOHYDRATE ; ;P.SINGH,M.ZOTTOLA,SAQING HUANG,B.R.SHAW,L.G.PEDERSEN 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 693 ; acados all_ribose_gamma 1 4.10 0.006-0.010A '3'-O-ACETYLADENOSINE' 'S.T.RAO,M.SUNDARALINGAM 1970, J.AM.CHEM.SOC., 92, 4963' adoshc all_ribose_gamma 1 3.70 0.001-0.005A 'ADENOSINE HYDROCHLORIDE' 'K.SHIKATA,T.UEKI,T.MITSUI 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 31' amurid all_ribose_gamma 1 7.60 0.006-0.010A 5-AMINOURIDINE 'E.EGERT,H.J.LINDNER,W.HILLEN,H.G.GASSEN 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2204' bibxit all_ribose_gamma 1 5.10 0.006-0.010A '4-AMINO-1-BETA-D-RIBOFURANOSYL-PYRIMIDINE-2,6(1H,3H)-DIONE MONOHYDRATE' 'J.GORSKI,P.TOLLIN 1982, CRYST.STRUCT.COMMUN., 11, 543' bimfei10 all_ribose_gamma 1 3.70 0.001-0.005A 1,N-6--ETHENOADENOSINE 'M.JASKOLSKI 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 3171' bimfim10 all_ribose_gamma 1 4.50 0.001-0.005A '1,N-6--ETHENOADENOSINE HYDROCHLORIDE' 'M.JASKOLSKI 1984, J.CRYSTALLOGR.SPECTROSC.RES., 14, 45' clurid10 all_ribose_gamma 1 3.15 0.001-0.005A 5-CHLOROURIDINE 'S.W.HAWKINSON,C.L.COULTER 1971, ACTA CRYSTALLOGR.,SECT.B, 27, 34' coczid all_ribose_gamma 1 3.90 0.001-0.005A 'ADENOSINE-5'-O-DIETHYL-PHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, J.AM.CHEM.SOC., 106, 5671' coxnei all_ribose_gamma 1 3.10 0.001-0.005A '8-CHLORO-GUANOSINE DIHYDRATE' 'G.I.BIRNBAUM,P.LASSOTA,D.SHUGAR 1984, BIOCHEMISTRY, 23, 5048' cutvao all_ribose_gamma 1 3.90 0.001-0.005A XANTHOSINE 'B.LESYNG,C.MARCK,W.SAENGER 1984, Z.NATURFORSCH.,TEIL C, 39, 720' cytiac01 all_ribose_gamma 1 7.30 0.006-0.010A ;CYTIDINE-3'-PHOSPHATE (MONOCLINIC FORM) CYTIDYLIC ACID B ; 'C.E.BUGG,R.E.MARSH 1967, J.MOL.BIOL., 25, 67' cyticl all_ribose_gamma 1 2.80 0.001-0.005A 'CYTIDINIUM CHLORIDE' 'A.MOSSET,J.J.BONNET,J.GALY 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1908' demxey all_ribose_gamma 1 5.30 0.006-0.010A '8-METHYLGUANOSINE TRIHYDRATE' ;K.HAMADA,I.HONDA,S.FUJII,T.FUJIWARA,K.-I.TOMITA 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1486 ; dotxuf10 all_ribose_gamma 1 5.70 0.001-0.005A ;TRYPTAMINIUM 7-METHYLGUANOSINE 5'-MONOPHOSPHATE TRIHYDRATE ; 'T.ISHIDA,M.DOI,H.UEDA,M.INOUE,G.M.SHELDRICK 1988, J.AM.CHEM.SOC., 110, 2286' fucwij all_ribose_gamma 1 4.90 0.001-0.005A 'N-6--DIDEHYDRO-1,6-DIHYDRO-1-METHYLADENOSINE TRIHYDRATE' 'Y.YAMAGATA,K.-I.TOMITA 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 2117' gicmou all_ribose_gamma 1 4.10 0.001-0.005A 'N-4--AMINOCYTIDINE HEMIHYDRATE (MUTAGENIC ACTIVITY)' ;S.KASHINO,K.NEGISHI,H.HAYATSU 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1454 ; gicmou all_ribose_gamma 2 4.10 0.001-0.005A 'N-4--AMINOCYTIDINE HEMIHYDRATE (MUTAGENIC ACTIVITY)' ;S.KASHINO,K.NEGISHI,H.HAYATSU 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1454 ; guansh10 all_ribose_gamma 1 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guansh10 all_ribose_gamma 2 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guopna10 all_ribose_gamma 1 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna10 all_ribose_gamma 2 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna11 all_ribose_gamma 1 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' guopna11 all_ribose_gamma 2 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' hipads all_ribose_gamma 1 3.10 0.001-0.005A '8-(ALPHA-HYDROXYISOPROPYL)-ADENOSINE DIHYDRATE' 'G.I.BIRNBAUM,D.SHUGAR 1978, BIOCHIM.BIOPHYS.ACTA, 517, 500' hxurid all_ribose_gamma 1 2.60 0.001-0.005A 5-HYDROXYURIDINE 'U.THEWALT,C.E.BUGG 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 1393' jawjia all_ribose_gamma 1 2.96 0.001-0.005A '7-METHYL-8-OXO-7,8-DIHYDROGUANOSINE MONOHYDRATE' ;S.B.LARSON,H.B.COTTAM,R.K.ROBINS 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1979 ; kehzay all_ribose_gamma 1 2.86 0.001-0.005A ;2-AMINO-7-METHYL-9-(BETA-D-RIBOFURANOSYL)-8(9H)-THIOXOPURIN-6(1H)-ONE MONOHYDRATE (IMMUNE SYSTEM STIMULATORY ACTION) ; ;S.B.LARSON,E.M.HENRY,G.D.KINI,R.K.ROBINS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 506 ; kurdmp all_ribose_gamma 1 3.50 0.001-0.005A ;POTASSIUM DIHYDROURIDINE-3'-MONOPHOSPHATE HEMIHYDRATE ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 537' lumzrf01 all_ribose_gamma 1 5.90 0.001-0.005A 6,7-DIMETHYL-N-1-BETA-D-RIBOFURANOSYL-LUMAZINE 'W.SAENGER,G.RITZMANN,W.PFLEIDERER 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2989' lumzrf01 all_ribose_gamma 2 5.90 0.001-0.005A 6,7-DIMETHYL-N-1-BETA-D-RIBOFURANOSYL-LUMAZINE 'W.SAENGER,G.RITZMANN,W.PFLEIDERER 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2989' pctrib10 all_ribose_gamma 1 4.10 0.001-0.005A N-6--(N-THREONYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' selzis all_ribose_gamma 1 4.10 0.001-0.005A 3-(8-XANTHOSYL)XANTHINE 'XINHUA JI,P.SUBRAMANIAN,D.VAN DER HELM,G.DRYHURST 1990, J.ORG.CHEM., 55, 1291' selzis all_ribose_gamma 2 4.10 0.001-0.005A 3-(8-XANTHOSYL)XANTHINE 'XINHUA JI,P.SUBRAMANIAN,D.VAN DER HELM,G.DRYHURST 1990, J.ORG.CHEM., 55, 1291' uridmp10 all_ribose_gamma 1 5.10 0.006-0.010A ;URIDINE-3'-MONOPHOSPHATE MONOHYDRATE ; 'T.SRIKRISHNAN,S.M.FRIDEY,R.PARTHASARATHY 1979, J.AM.CHEM.SOC., 101, 3739' vuymad all_ribose_gamma 1 2.90 0.001-0.005A 'CYTIDINIUM DIHYDROGENPHOSPHATE' 'M.JASKOLSKI 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 85' yidkif all_ribose_gamma 1 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' yidkif all_ribose_gamma 2 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' zaytic all_ribose_gamma 1 3.45 0.001-0.005A '3-METHYLURIDINE (ABSOLUTE CONFIGURATION BY REFINEMENT OF THE FLACK PARAMETER)' ;B.L.PARTRIDGE,C.E.PRITCHARD 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 1929 ; zexwee all_ribose_gamma 1 3.66 0.006-0.010A ;2-CHLORO-N-(1-PHENYL-2(R)-PROPYL)-9-BETA-D-RIBOFURANOSYL-9H-PURIN-6-AMINE (ACTIVATING AGENT OF ADENOSINE A2 RECEPTOR) N-(1-PHENYL-2(R)-PROPYL)-2-CHLORO-ADENOSINE ; 'A.K.DAS,V.BERTOLASI 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 2408' admpot10 all_ribose_gamma 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' admpot10 all_ribose_gamma 2 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adypur10 all_ribose_gamma 1 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 2 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 3 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 4 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; apapad10 all_ribose_gamma 1 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 all_ribose_gamma 2 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 all_ribose_gamma 3 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' beurid10 all_ribose_gamma 1 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; beurid10 all_ribose_gamma 2 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; cytidi01 all_ribose_gamma 1 2.87 0.001-0.005A '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE BETA-CYTIDINE' 'D.L.WARD 1993, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 49, 1789' cytidi02 all_ribose_gamma 1 5.40 0.001-0.005A 'BETA-CYTIDINE (AT 123 DEG.K, HIGH RESOLUTION REFINEMENT.)' 'LIRONG CHEN,B.M.CRAVEN 1995, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 51, 1081' cytidn all_ribose_gamma 1 2.60 0.006-0.010A 'CYTIDINIUM NITRATE' ;J.J.GUY,L.R.NASSIMBENI,G.M.SHELDRICK,R.TAYLOR 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2909 ; guanph01 all_ribose_gamma 1 3.00 0.001-0.005A ;GUANOSINE-5'-MONOPHOSPHATE TRIHYDRATE (REDETERMINATION OF MURAYAMA ET AL,ACTA CRYST.,B25,2236,1969) ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1510' hifkem all_ribose_gamma 1 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; hifkem all_ribose_gamma 2 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; jucjas all_ribose_gamma 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid all_ribose_gamma 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 all_ribose_gamma 1 3.10 0.001-0.005A 5-METHOXYURIDINE 'G.I.BIRNBAUM,W.J.P.BLONSKI,F.E.HRUSKA 1983, CAN.J.CHEM., 61, 2299' pucglr10 all_ribose_gamma 1 4.60 0.006-0.010A N-6--(N-GLYCYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' taljar all_ribose_gamma 1 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; taljar all_ribose_gamma 2 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; uroame all_ribose_gamma 1 4.00 0.006-0.010A 'URIDINE-5-OXYACETIC ACID METHYL ESTER MONOHYDRATE' 'K.MORIKAWA,K.TORII,Y.IITAKA,M.TSUBOI 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 1004' . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . boxgie deoxyribose_C2endo_pyrimidine 1 4.50 0.006-0.010A . . cldour deoxyribose_C2endo_pyrimidine 1 3.80 0.001-0.005A . . duhhuj deoxyribose_C2endo_pyrimidine 1 2.70 0.001-0.005A . . dumtou deoxyribose_C2endo_pyrimidine 1 4.20 0.001-0.005A . . dumtou10 deoxyribose_C2endo_pyrimidine 1 3.60 0.001-0.005A . . dxcytd01 deoxyribose_C2endo_pyrimidine 1 3.78 0.006-0.010A . . dxcytd01 deoxyribose_C2endo_pyrimidine 2 3.78 0.006-0.010A . . dxcytd01 deoxyribose_C2endo_pyrimidine 3 3.78 0.006-0.010A . . etyxur deoxyribose_C2endo_pyrimidine 1 3.85 0.001-0.005A . . fmdurd02 deoxyribose_C2endo_pyrimidine 1 3.30 0.006-0.010A . . gebtem deoxyribose_C2endo_pyrimidine 1 3.30 0.001-0.005A . . gergal deoxyribose_C2endo_pyrimidine 1 2.90 0.001-0.005A . . gexxiq deoxyribose_C2endo_pyrimidine 1 4.90 0.001-0.005A . . gexxiq01 deoxyribose_C2endo_pyrimidine 1 5.00 0.006-0.010A . . geyces deoxyribose_C2endo_pyrimidine 1 3.60 0.001-0.005A . . ipdxur deoxyribose_C2endo_pyrimidine 1 6.10 0.001-0.005A . . ipdxur01 deoxyribose_C2endo_pyrimidine 1 6.10 0.001-0.005A . . jubvor deoxyribose_C2endo_pyrimidine 1 4.37 0.001-0.005A . . lijzin deoxyribose_C2endo_pyrimidine 1 5.20 0.006-0.010A . . pryurd10 deoxyribose_C2endo_pyrimidine 1 2.70 0.006-0.010A . . sifkex deoxyribose_C2endo_pyrimidine 1 2.80 0.001-0.005A . . thydin deoxyribose_C2endo_pyrimidine 1 6.60 0.006-0.010A . . thydin01 deoxyribose_C2endo_pyrimidine 1 4.40 0.001-0.005A . . vexdor deoxyribose_C2endo_pyrimidine 1 4.40 0.001-0.005A . . vexdor deoxyribose_C2endo_pyrimidine 2 4.40 0.001-0.005A . . wisgek deoxyribose_C2endo_pyrimidine 1 2.90 0.001-0.005A . . yevjak deoxyribose_C2endo_pyrimidine 1 6.70 0.006-0.010A . . yevjak deoxyribose_C2endo_pyrimidine 2 6.70 0.006-0.010A . . yilyat deoxyribose_C2endo_pyrimidine 1 6.00 0.006-0.010A . . zasquf deoxyribose_C2endo_pyrimidine 1 3.80 0.001-0.005A . . zasram deoxyribose_C2endo_pyrimidine 1 2.80 0.001-0.005A . . zedhev deoxyribose_C2endo_pyrimidine 1 6.30 0.006-0.010A . . zedhiz deoxyribose_C2endo_pyrimidine 1 5.40 0.006-0.010A . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C2endo_pyrimidine_syn . . . . . . C2endo_pyrimidine_syn . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_4 . . . . . #