# Minimized with a chisquare of 0.718696. ################################################################################ # # File: T_deoxyriboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 21:08:50 # # 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_T_deoxyriboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id T_deoxyriboseC3endo_O3H_O5P_anti_+sc _chem_comp.name '2'-deoxythymidine-5'-phosphate' _chem_comp.type 'DNA linking' _chem_comp.model_details ;Model constructed for 2'-deoxythymidine-5'-phosphate from subcomponents for base, sugar and phosphate. The sugar is deoxyribose in the C3'-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 'H12 C10 N2 O8 P1 ' _chem_comp.formula_weight 319.21 _chem_comp.number_atoms_all 33 _chem_comp.number_atoms_nh 21 _chem_comp.ndb_formal_charge -2 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details T_deoxyriboseC3endo_O3H_O5P_anti_+sc thy base 'Model constructed for thymine with an N1-glycosidic linkage.' T_deoxyriboseC3endo_O3H_O5P_anti_+sc deoxyribose_C3endo_O3H_O5P_+sc sugar ;Model constructed for 1'-amino-2'-deoxyribose in the C3'-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. ; T_deoxyriboseC3endo_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_C3endo_O3H_O5P_+sc thy ribose_O5_PO4 sugar phosphate deoxyribose_C3endo_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 83 thy 512 ;Mon Dec 8 13:27:10 1997 ; 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose 512 ;Mon Dec 8 13:29:26 1997 ; 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose_C3endo_O3H 512 ;Mon Dec 8 13:42:52 1997 ; 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 11 deoxyribose_O5P 512 ;Mon Dec 8 13:52:27 1997 ; 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 94 all_ribose_gamma 512 ;Mon Dec 8 14:31:38 1997 ; 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 16 C3endo_pyrimidine_anti . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 3 deoxyribose_C3endo_pyrimidine 512 'Sat Aug 23 13:18:09 1997' 'Sep 15 19:34:11 BST 1996' T_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . T_deoxyriboseC3endo_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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 N base 0 0.7932 1.5843 3.7985 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 C base 0 -0.2882 1.2143 3.0279 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 N base 0 -0.9710 0.1137 3.4854 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C base 0 -0.7010 -0.6269 4.6191 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C base 0 0.4300 -0.1734 5.3925 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C base 0 1.1068 0.8949 4.9526 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O2 O base 0 -0.6065 1.7970 2.0056 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4 O base 0 -1.4113 -1.5876 4.9035 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M C base 0 0.7981 -0.9110 6.6431 T_deoxyriboseC3endo_O3H_O5P_anti_+sc H3 H base 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc H6 H base 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HC5MA H base 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HC5MB H base 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HC5MC H base 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 1.7980 2.4820 3.1516 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 2.2251 1.9620 1.7876 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 3.7337 2.1530 1.8001 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 4.0746 1.9264 3.2633 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 5.3428 2.5847 3.7598 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 4.3873 1.2450 0.9290 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 2.9393 2.4646 3.9841 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 5.4106 3.9741 3.3967 T_deoxyriboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HB2* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 6.7679 4.6040 2.8490 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 6.6497 4.9110 1.4009 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 7.2621 5.6545 3.7739 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 7.7389 3.4868 2.9665 # 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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.49 0.03 sign 54.18 0.78 T_deoxyriboseC3endo_O3H_O5P_anti_+sc 2 C3* 4 3 sign -2.51 0.10 sign -51.72 2.87 T_deoxyriboseC3endo_O3H_O5P_anti_+sc 3 C4* 4 3 sign 2.50 0.04 sign 50.99 1.10 # 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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 1 2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 1 3 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N 2 1 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 2 2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* 2 3 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* 3 1 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* 3 2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 3 3 T_deoxyriboseC3endo_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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3773 0.0086 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 sing 1.3734 0.0079 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 sing 1.3821 0.0084 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 sing 1.4446 0.0088 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 doub 1.3390 0.0064 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 sing 1.3796 0.0072 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 O2 doub 1.2190 0.0079 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 O4 doub 1.2282 0.0090 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C5M sing 1.4977 0.0071 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 H3 sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 H6 sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MA sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MB sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MC sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5192 0.0069 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5186 0.0110 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5212 0.0081 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4492 0.0060 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4123 0.0065 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4178 0.0067 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* sing 1.5120 0.0117 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4379 0.0099 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 T_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 T_deoxyriboseC3endo_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 1.4947 0.0031 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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 121.22 0.51 2.40 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 114.54 0.59 2.31 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 127.22 0.53 2.47 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 115.18 0.61 2.39 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 118.08 0.51 2.39 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 123.63 0.56 2.40 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 O2 123.17 0.83 2.28 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C2 O2 122.28 0.63 2.27 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 O4 119.75 0.65 2.26 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C4 O4 125.07 0.74 2.37 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C5M 118.99 0.57 2.54 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 C5M 122.91 0.60 2.49 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 102.80 0.51 2.37 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.26 0.57 2.37 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.79 0.66 2.35 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 110.21 0.61 2.35 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.01 0.63 2.36 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 112.71 2.71 2.44 0.04 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.97 1.78 2.45 0.03 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.64 1.14 2.57 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.36 0.32 2.42 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 111.28 1.54 2.42 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . T_deoxyriboseC3endo_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 1 107.96 1.21 2.3500 0.0200 deoxyribose_pyrimidine N1 C1* C2* 2 1 1 112.66 1.14 2.5100 0.0200 deoxyribose_pyrimidine C2 N1 C1* 2 2 1 117.52 0.61 2.4700 0.0200 deoxyribose_pyrimidine C6 N1 C1* 2 2 1 122.20 0.67 2.5000 0.0000 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.id _chem_comp_tor.comp_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 N1-C2-N3-C4 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 C4 C2-N3-C4-C5 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 C5 N3-C4-C5-C6 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 C6 C4-C5-C6-N1 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 N1 C5-C6-N1-C2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 C2 C6-N1-C2-N3 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 N3 C6-N1-C2-O2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 O2 C4-N3-C2-O2 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 N3 C2 O2 C2-N3-C4-O4 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 O4 C6-C5-C4-O4 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 C4 O4 O4-C4-C5-C5M T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4 C4 C5 C5M N3-C4-C5-C5M T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 C5M N1-C6-C5-C5M T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 C5 C5M C4*-O4*-C1*-C2* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* C2* O4*-C1*-C2*-C3* T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* C3* C1*-C2*-C3*-C4* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* C4* C2*-C3*-C4*-O4* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* O4* C3*-C4*-O4*-C1* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* C1* C2*-C3*-C4*-C5* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* C5* C3*-C4*-C5*-O5* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* C5* O5* O3*-C3*-C4*-C5* T_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* C3* C4* C5* O4*-C4*-C3*-O3* T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C4* C3* O3* O4*-C4*-C5*-O5* T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C4* C5* O5* C5*-C4*-O4*-C1* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* C1* C1*-C2*-C3*-O3* T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* O3* # _chem_link_tor.link_id deoxyribose_pyrimidine _chem_link_tor.id chi_anti_C3endo_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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 359.98 2.89 2.79 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.70 3.25 2.84 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 0.30 2.52 2.66 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 359.99 1.37 2.79 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 359.67 2.27 2.84 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 0.33 2.74 2.66 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-O2 180.25 2.64 3.53 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-N3-C2-O2 180.07 2.74 3.57 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-O4 179.80 2.86 3.55 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-C5-C4-O4 180.19 2.21 3.54 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4-C4-C5-C5M 0.26 2.16 2.89 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C5M 180.37 2.35 3.76 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C6-C5-C5M 179.92 1.53 3.78 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 4.17 7.07 2.37 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 335.52 5.35 2.35 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 34.16 2.49 2.35 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 327.62 3.09 2.36 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 18.00 6.18 2.37 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 207.16 3.23 3.73 0.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 85.70 4.91 3.28 0.06 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 206.16 5.02 3.59 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 142.55 6.60 3.57 0.03 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 155.80 4.77 3.63 0.02 # _chem_link_tor_value.link_id deoxyribose_pyrimidine _chem_link_tor_value.tor_id chi_anti_C3endo_pyrimidine _chem_link_tor_value.angle 193.3 _chem_link_tor_value.angle_esd 14.0 _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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 '1 ' thy 1.3785 1.3773 -0.0012 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 '1 ' thy 1.3737 1.3734 -0.0003 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 '1 ' thy 1.3808 1.3821 0.0013 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 '1 ' thy 1.4432 1.4446 0.0014 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 '2 ' thy 1.3389 1.3390 0.0001 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 '1 ' thy 1.3804 1.3796 -0.0008 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 O2 '2 ' thy 1.2190 1.2190 0.0000 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 O4 '2 ' thy 1.2282 1.2282 0.0000 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C5M '1 ' thy 1.4978 1.4977 -0.0001 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 H3 1 thy . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 H6 1 thy . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MA 1 thy . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MB 1 thy . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5M HC5MC 1 thy . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 deoxyribose 1.5209 1.5192 -0.0017 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 deoxyribose 1.5207 1.5186 -0.0021 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 deoxyribose 1.5194 1.5212 0.0018 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 deoxyribose 1.4485 1.4492 0.0007 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 deoxyribose 1.4128 1.4123 -0.0005 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' deoxyribose_C3endo_O3H 1.4179 1.4178 -0.0001 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* 1 deoxyribose 1.5126 1.5120 -0.0006 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' deoxyribose_O5P 1.4377 1.4379 0.0002 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 deoxyribose . . . T_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4851 1.4850 -0.0001 T_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4843 1.4850 0.0007 T_deoxyriboseC3endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4848 1.4850 0.0002 # 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_C3endo_pyrimidine C1* N1 1 2 1.4947 1.4947 0.0000 ribose_O5_PO4 phosphate_O5_1 P O5* 2 1 1.5935 1.5930 -0.0005 # 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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 thy 120.77 121.22 0.45 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 thy 114.76 114.54 -0.22 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 thy 127.30 127.22 -0.08 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 thy 115.13 115.18 0.05 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 thy 118.08 118.08 0.00 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 thy 123.94 123.63 -0.31 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 O2 thy 123.05 123.17 0.12 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C2 O2 thy 122.18 122.28 0.10 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 O4 thy 119.77 119.75 -0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C4 O4 thy 125.09 125.07 -0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C5M thy 119.03 118.99 -0.04 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 C5M thy 122.89 122.91 0.02 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* deoxyribose 103.20 102.80 -0.40 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* deoxyribose 102.23 102.26 0.03 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* deoxyribose 104.36 104.79 0.43 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* deoxyribose 110.15 110.21 0.06 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* deoxyribose 107.30 107.01 -0.29 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* deoxyribose 111.83 112.71 0.88 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* deoxyribose 113.12 112.97 -0.15 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* deoxyribose 116.06 115.64 -0.42 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* deoxyribose 109.39 109.36 -0.03 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* deoxyribose 112.16 111.28 -0.88 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.20 119.60 0.40 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.54 108.30 1.76 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.40 107.30 1.90 # 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_C3endo_pyrimidine N1 C1* O4* 2 1 1 106.2958 107.9600 1.6642 deoxyribose_pyrimidine deoxyribose_C3endo_pyrimidine N1 C1* C2* 2 1 1 111.8158 112.6600 0.8442 deoxyribose_pyrimidine deoxyribose_C3endo_pyrimidine C2 N1 C1* 2 2 1 116.5266 117.5200 0.9934 deoxyribose_pyrimidine deoxyribose_C3endo_pyrimidine C6 N1 C1* 2 2 1 120.6052 122.2000 1.5948 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 120.5976 120.9000 0.3024 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4302 110.7000 0.2698 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4403 110.7000 0.2597 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4394 104.0000 0.5606 # 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 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 thy 0.97 359.98 359.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 thy 360.00 359.70 -0.30 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 thy 359.70 0.30 -359.40 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 thy 359.57 359.99 0.42 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 thy 1.49 359.67 358.18 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 thy 358.34 0.33 -358.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-O2 thy 179.63 180.25 0.62 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-N3-C2-O2 thy 179.70 180.07 0.37 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-O4 thy 179.59 179.80 0.21 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-C5-C4-O4 thy 180.13 180.19 0.06 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4-C4-C5-C5M thy 0.22 0.26 0.04 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C5M thy 179.79 180.37 0.58 T_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C6-C5-C5M thy 179.48 179.92 0.44 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* deoxyribose 358.18 4.17 -354.01 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* deoxyribose 339.84 335.52 -4.32 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* deoxyribose 33.00 34.16 1.16 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* deoxyribose 325.39 327.62 2.23 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* deoxyribose 23.19 18.00 -5.19 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* deoxyribose 204.95 207.16 2.21 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 49.30 52.19 2.89 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* deoxyribose 84.54 85.70 1.16 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* deoxyribose 204.99 206.16 1.17 T_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 291.61 293.22 1.61 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* deoxyribose 147.99 142.55 -5.44 T_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* deoxyribose 154.31 155.80 1.49 # _ndb_chem_link_tor.link_id deoxyribose_pyrimidine _ndb_chem_link_tor.id chi_anti_C3endo_pyrimidine _ndb_chem_link_tor.dbsearch_id C3endo_pyrimidine_anti _ndb_chem_link_tor.value_angle_calc 193.65 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta -0.35 # 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 bicrua thy 1 4.10 0.001-0.005A 1,8-BIS(1-THYMINYL)-3,6-DIOXA-OCTANE 'J.P.BIDEAU,C.COURSEILLE,G.BRAVIC 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 2075' bicrua thy 2 4.10 0.001-0.005A 1,8-BIS(1-THYMINYL)-3,6-DIOXA-OCTANE 'J.P.BIDEAU,C.COURSEILLE,G.BRAVIC 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 2075' bicrua01 thy 1 3.43 0.001-0.005A 'TRANS-SYN-(1,1'-(ETHYLENEDIOXYDIETHYLENE)DITHYMINE)' ;C.G.SURESH,B.P.GANGAMANI,K.N.GANESH 1996, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 52, 376 ; bicrua01 thy 2 3.43 0.001-0.005A 'TRANS-SYN-(1,1'-(ETHYLENEDIOXYDIETHYLENE)DITHYMINE)' ;C.G.SURESH,B.P.GANGAMANI,K.N.GANESH 1996, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 52, 376 ; bolved thy 1 6.00 0.006-0.010A '1-((6-CHLORO-2-METHOXY-9-ACRIDINYL)-AMINOPENTYL)-THYMINE METHANOL SOLVATE' ;R.EL COUHEN,C.COURSEILLE,G.PRECIGOUX,J.F.CONSTANT,J.LHOMME 1983, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 39, 246 ; cezfoc thy 1 3.00 0.001-0.005A ;CALCIUM THYMIDINE-5'-PHOSPHATE DIHYDRATE ; 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 736' clqunb10 thy 1 4.00 0.006-0.010A '9-(1-THYMINYLBUTOXY)-FURO(3,2-G)COUMARIN 9-(1-THYMINYLBUTOXY)-PSORALEN' ;C.COURSEILLE,G.BRAVIC,J.P.BIDEAU,J.LHOMME,J.L.DECOUT 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 1252 ; dayvoo thy 1 4.50 0.001-0.005A '1-(2-HYDROXYETHYL)-THYMINE MONOHYDRATE' ;M.SHIBATA,A.TAKENAKA,Y.SASADA,M.OHKI 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1356 ; dejsam thy 1 5.30 0.006-0.010A ;3'-O-BENZOYL-THYMIDINE MONOHYDRATE ; ;Y.YAMAGATA,H.MIYASHIRO,K.-I.TOMITA,T.ISHIDA,M.INOUE 1985, CHEM.PHARM.BULL., 33, 455 ; doxziz thy 1 5.70 0.001-0.005A 1-(2-(2-(4-HYDROXYPHENOL)-ETHYLTHIO)-ETHYL)-THYMINE ;Y.TSUCHIYA,A.TAKENAKA,Y.SASADA,M.OHKI 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 821 ; duksor thy 1 3.90 0.001-0.005A ;CIS-THYMIDINE-(3',5')-CYCLIC METHYLPHOSPHONATE ACETONE SOLVATE ; ;W.G.BENTRUDE,A.E.SOPCHIK,G.S.BAJWA,W.N.SETZER,W.S.SHELDRICK 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 1027 ; duxxez thy 1 3.40 0.001-0.005A 1-(3-(IMIDAZOL-1-YL)PROPYL)THYMINE 'M.GDANIEC,G.WENSKA 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 1604' firpol thy 1 5.30 0.006-0.010A ;TRANS-THYMIDINE-3',5'-CYCLIC PHENYL MONOPHOSPHATE ; ;K.A.NELSON,W.G.BENTRUDE,W.N.SETZER,J.P.HUTCHINSON 1987, J.AM.CHEM.SOC., 109, 4058 ; fixgau thy 1 3.50 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;G.V.GURSKAYA,E.N.TSAPKINA,N.V.SKAPTSOVA,A.A.KRAEVSKII,S.V.LINDEMAN,YU.T.STRUCHKOV 1986, DOKL.AKAD.NAUK SSSR, 291, 854 ; fixgau thy 2 3.50 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;G.V.GURSKAYA,E.N.TSAPKINA,N.V.SKAPTSOVA,A.A.KRAEVSKII,S.V.LINDEMAN,YU.T.STRUCHKOV 1986, DOKL.AKAD.NAUK SSSR, 291, 854 ; fixgau01 thy 1 2.80 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (AT 150 DEG.K, ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;G.I.BIRNBAUM,J.GIZIEWICZ,E.J.GABE,TAI-SHUN LIN,W.H.PRUSOFF 1987, CAN.J.CHEM., 65, 2135 ; fixgau01 thy 2 2.80 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (AT 150 DEG.K, ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;G.I.BIRNBAUM,J.GIZIEWICZ,E.J.GABE,TAI-SHUN LIN,W.H.PRUSOFF 1987, CAN.J.CHEM., 65, 2135 ; fixgau03 thy 1 3.70 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (AT 165 DEG.K, ANTI-HIV-1 AGENT, ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES.) AZT ; ;P.VAN ROEY,J.M.SALERNO,W.L.DUAX,C.K.CHU,M.K.AHN,R.F.SCHINAZI 1988, J.AM.CHEM.SOC., 110, 2277 ; fixgau03 thy 2 3.70 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (AT 165 DEG.K, ANTI-HIV-1 AGENT, ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES.) AZT ; ;P.VAN ROEY,J.M.SALERNO,W.L.DUAX,C.K.CHU,M.K.AHN,R.F.SCHINAZI 1988, J.AM.CHEM.SOC., 110, 2277 ; fixgau04 thy 1 4.00 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; 'R.PARTHASARATHY,H.KIM 1988, BIOCHEM.BIOPHYS.RES.COMM., 152, 351' fixgau04 thy 2 4.00 0.001-0.005A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; 'R.PARTHASARATHY,H.KIM 1988, BIOCHEM.BIOPHYS.RES.COMM., 152, 351' fixgau05 thy 1 6.00 0.006-0.010A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;I.DYER,J.N.LOW,P.TOLLIN,H.R.WILSON,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 767 ; fixgau05 thy 2 6.00 0.006-0.010A ;3'-AZIDO-3'-DEOXYTHYMIDINE (ANTIVIRAL AGENT ACTIVE EXCLUSIVELY AGAINST RETROVIRUSES) ; ;I.DYER,J.N.LOW,P.TOLLIN,H.R.WILSON,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 767 ; gebtem thy 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' gexxiq thy 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 thy 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' heknoa thy 1 5.70 0.006-0.010A 'BUTOXYCARBONYL-L-TRYPTOPHAN 2-THYMIN-1-YLETHYL ESTER' 'K.FUKUYAMA,M.IRIE-FUJII 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1267' kagzex thy 1 5.70 0.006-0.010A ;1-(3-CYANO-2,3-DIDEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)THYMINE 5'-O-CAMPHANATE MONOHYDRATE ; ;C.W.GREENGRASS,D.W.T.HOOPLE,S.D.A.STREET,F.HAMILTON,M.S.MARRIOTT,J.BORDNER,A.G.DALGLEISH,H.MITSUYA,S.BRODER 1989, J.MED.CHEM., 32, 618 ; kasvef thy 1 3.90 0.006-0.010A ;S-PHENYL O-3'-THYMIDINYL METHYLPHOSPHONOTHIOATE TETRAHYDROFURAN SOLVATE ; ;W.K.-D.BRILL,M.H.CARUTHERS,R.C.HALTIWANGER 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1639 ; katyin thy 1 5.40 0.001-0.005A ;3'-DEOXYTHYMIDINE (ANTIHIV-1 ACTIVITY) ; ;P.VAN ROEY,J.M.SALERNO,C.K.CHU,R.F.SCHINAZI 1989, PROC.NAT.ACAD.SCI.USA, 86, 3929 ; katyin thy 2 5.40 0.001-0.005A ;3'-DEOXYTHYMIDINE (ANTIHIV-1 ACTIVITY) ; ;P.VAN ROEY,J.M.SALERNO,C.K.CHU,R.F.SCHINAZI 1989, PROC.NAT.ACAD.SCI.USA, 86, 3929 ; kexkih thy 1 3.30 0.001-0.005A ;1-(2,3-DIDEOXY-2-FLUORO-BETA-D-ERYTHRO-PENTOFURANOSYL)THYMINE 3'-DEOXY-2'-FLUOROTHYMIDINE ; ;D.H.EVERAERT,O.M.PEETERS,N.M.BLATON,C.J.DE RANTER,A.VAN AERSCHOT,P.HERDEWIJN 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 1934 ; kexkih thy 2 3.30 0.001-0.005A ;1-(2,3-DIDEOXY-2-FLUORO-BETA-D-ERYTHRO-PENTOFURANOSYL)THYMINE 3'-DEOXY-2'-FLUOROTHYMIDINE ; ;D.H.EVERAERT,O.M.PEETERS,N.M.BLATON,C.J.DE RANTER,A.VAN AERSCHOT,P.HERDEWIJN 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 1934 ; kezruc thy 1 3.80 0.006-0.010A ;2',3'-LYXOANHYDROTHYMIDINE (RETROVIRUS REVERSE TRANSCRIPTASE INHIBITORY ACTIVITY.) ; ;G.V.GURSKAIA,A.V.BOCHKAREV,A.S.ZHDANOV,A.V.PAPCHIKHIN,P.P.PURYGIN,A.A.KRAEVSKII 1990, DOKL.AKAD.NAUK SSSR, 312, 101 ; kezruc thy 2 3.80 0.006-0.010A ;2',3'-LYXOANHYDROTHYMIDINE (RETROVIRUS REVERSE TRANSCRIPTASE INHIBITORY ACTIVITY.) ; ;G.V.GURSKAIA,A.V.BOCHKAREV,A.S.ZHDANOV,A.V.PAPCHIKHIN,P.P.PURYGIN,A.A.KRAEVSKII 1990, DOKL.AKAD.NAUK SSSR, 312, 101 ; kicjel thy 1 2.40 0.001-0.005A ;3'-AMINO-2',3'-DIDEOXYTHYMIDINE HYDROCHLORIDE ; ;G.V.GURSKAIA,E.N.TSAPKINA,S.V.LINDEMAN,YU.T.STRUCHKOV,A.A.KRAEVSKII 1988, DOKL.AKAD.NAUK SSSR, 303, 1378 ; kinhiy thy 1 4.80 0.001-0.005A '1-(2,3-DIDEOXY-ERYTHRO-BETA-D-HEXOPYRANOSYL)THYMINE DIOXANE SOLVATE' ;H.L.DE WINTER,N.M.BLATON,O.M.PEETERS,C.J.DE RANTER,A.VAN AERSCHOT,P.HERDEWIJN 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 838 ; kitsov thy 1 4.60 0.001-0.005A ;1-(2,4-DIFLUORO-3-HYDROXYMETHYLCYCLOPENTANYL)-5-METHYLPYRIMIDINE-2,3(1H,3H)-DIONE (WEAK ANTIVIRAL ACTIVITY) ; ;R.M.HIGHCOCK,H.HILPERT,P.L.MYERS,S.M.ROBERTS,R.STORER 1991, J.CHEM.SOC.,PERKIN TRANS.1,, 1127 ; kogbir thy 1 3.50 0.001-0.005A '3'-AMINO-3''-DEOXYTHYMIDINE' ;T.KOVACS,L.PARKANYI,I.PELCZER,F.CERVANTES-LEE,K.H.PANNELL,P.F.TORRENCE 1991, J.MED.CHEM., 34, 2595 ; kotcol thy 1 3.80 0.001-0.005A 1-ACETYLTHYMINE 'L.W.TARI,A.S.SECCO 1992, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 48, 905' kunnem thy 1 5.50 0.001-0.005A 'ALPHA-(1-THYMINYLMETHYL)-GAMMA-BUTYROLACTONE (ANALAGOUS TO ANTIAIDS AGENTS)' ;A.K.DAS,S.K.MAZUMDAR,N.DAS,S.K.TALAPATRA,P.SCHEINER,C.H.W.SCHWALBE 1993, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 49, 177 ; kuthow thy 1 2.30 0.001-0.005A '1-(3'-C-METHYL-2'-DEOXYRIBOFURANOSYL)THYMINE' ;A.V.BOCHKAREV,G.V.GURSKAYA,A.S.ZDANOV,E.M.KAZMINA,I.I.FEDOROV 1991, BIOORG.KHIM., 17, 1094 ; kuzxei thy 1 2.90 0.001-0.005A ;4'-THIOTHYMIDINE (ABSOLUTE CONFIGURATION) ; ;L.H.KOOLE,J.PLAVEC,HONGYING LIU,B.R.VINCENT,M.R.DYSON,P.L.COE,R.T.WALKER,G.W.HARDY,S.G.RAHIM,J.CHATTOPADHYAYA 1992, J.AM.CHEM.SOC., 114, 9936 ; ledran thy 1 5.65 0.001-0.005A 1-(2,3-DIDEOXY-2-FLUORO-3-C-METHYL-ALPHA-ARABINOFURANOSYL)THYMINE ;K.ARAKI,WEI QIN YUN,J.O'TOOLE,P.J.TOSCANO,J.T.WELCH 1993, CARBOHYDR.RES., 249, 139 ; ledrer thy 1 5.43 0.006-0.010A ;1-(2,3-DIDEOXY-2-FLUORO-3-METHYL-BETA-RIBOFURANOSYL)THYMINE (FOR STEREOISOMER SEE LEDRIV) ; ;K.ARAKI,WEI QIN YUN,J.O'TOOLE,P.J.TOSCANO,J.T.WELCH 1993, CARBOHYDR.RES., 249, 139 ; lepvor thy 1 3.35 0.001-0.005A '4'-THIOTHYMIDINE-4',4'-DIOXIDE' 'E.L.HANCOX,T.A.HAMOR,R.T.WALKER 1994, TETRAHEDRON LETT., 35, 1291' letjez thy 1 5.80 0.006-0.010A 1-(3-HYDROXY-4-HYDROXYMETHYL-4,5-METHANOCYCLOPENTYL)-5-METHYLURACIL 'K.-H.ALTMANN,R.KESSELRING,E.FRANCOTTE,G.RIHS 1994, TETRAHEDRON LETT., 35, 2331' methym01 thy 1 3.80 0.001-0.005A '1-METHYLTHYMINE (NEUTRON STUDY)' 'A.KVICK,T.F.KOETZLE,R.THOMAS 1974, J.CHEM.PHYS., 61, 2711' naglem thy 1 3.37 0.001-0.005A 'N-1--((2'-DEOXY-BETA-D-RIBO-PENTOFURANOSYL)METHYL)THYMINE' ;N.HOSSAIN,N.BLATON,O.PEETERS,J.ROZENSKI,P.A.HERDEWIJN 1996, TETRAHEDRON, 52, 5563 ; palwuz thy 1 3.87 0.006-0.010A '1-(2',3'-DIDEOXY-BETA-D-ERYTHRO-HEX-2'-ENOPYRANOSYL)THYMINE' 'L.W.TARI,A.S.SECCO 1992, CAN.J.CHEM., 70, 894' palwuz thy 2 3.87 0.006-0.010A '1-(2',3'-DIDEOXY-BETA-D-ERYTHRO-HEX-2'-ENOPYRANOSYL)THYMINE' 'L.W.TARI,A.S.SECCO 1992, CAN.J.CHEM., 70, 894' pizniv thy 1 4.80 0.006-0.010A '3'-METHYLAMINO-2',3'-DIDEOXYRIBOSYLTHYMINE' ;A.V.BOCHKAREV,M.V.YASKO,A.S.ZDANOV,I.I.FEDOROV,G.V.GURSKAYA 1992, BIOORG.KHIM., 18, 996 ; soddeu thy 1 3.00 0.001-0.005A '1-(2-DEOXY-2-FLUORO-BETA-D-ARABINOPYRANOSYL)THYMINE MONOHYDRATE' ;H.L.DE WINTER,N.M.BLATON,O.M.PETERS,C.J.DE RANTER,A.VAN AERSCHOT,P.HERDEWIJN 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1693 ; sosbil thy 1 3.00 0.001-0.005A ;1-(2-AZIDO-2,3-DIDEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)THYMINE 2'-AZIDO-2',3'DIDEOXYTHYMIDINE ; ;A.VAN AERSCHOT,D.EVERAERT,G.GOSSELIN,O.PEETERS,N.BLATON,C.DE RANTER,J.-L.IMBACH,J.BALZARINI,E.DE CLERCQ,P.HERDEWIJN 1990, ANTIVIRAL RES., 14, 357 ; sulria thy 1 3.60 0.001-0.005A ;6'BETA-HYDROXY-5'BETA-1-(5-METHYLPYRIMIDINYL-2,4-DIONE)-5',6'-DIHYDROTHYMINE SESQUIHYDRATE ; 'H.KATZ,W.STALLINGS,J.P.GLUSKER 1993, PHOTOCHEM.PHOTOBIOL., 57, 609' tektos thy 1 3.70 0.001-0.005A '3'-DEOXY-2',3'-DIFLUOROTHYMIDINE' ;A.K.DAS,A.MUKHOPADHYAY,N.DAS,S.K.MAZUMDAR,V.BERTOLASI,A.VAN AERSCHOT 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 2615 ; thydin01 thy 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' tpataa thy 1 5.80 0.001-0.005A 'TRYPTAMINIUM 1-THYMINYL-ACETATE' 'T.ISHIDA,M.INOUE,K.TOMITA 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1642' trfutm thy 1 4.30 0.006-0.010A '(5'-TRYPTAMINOCARBONYL-2'-DEOXYRIBOFURANOSYL)-THYMINE' ;T.ISHIDA,S.MITOGUCHI,Y.MIYAMOTO,K.-I.TOMITA,M.INOUE 1980, BIOCHIM.BIOPHYS.ACTA, 609, 158 ; tymcxa thy 1 3.90 0.001-0.005A ;THYMIDINE 5'-CARBOXYLIC ACID ; 'D.SUCK,W.SAENGER,W.ROHDE 1974, BIOCHIM.BIOPHYS.ACTA, 361, 1' tymcxa thy 2 3.90 0.001-0.005A ;THYMIDINE 5'-CARBOXYLIC ACID ; 'D.SUCK,W.SAENGER,W.ROHDE 1974, BIOCHIM.BIOPHYS.ACTA, 361, 1' vabvid thy 1 5.60 0.006-0.010A ;N-BUTYLTHYMINE 2,7-BIS(PROPYLOXYCARBONYL)-3,6-NAPHTHYLDIOXY-(2,6-BIS(4-OXO-5-AZAPENTANE-1,5-DIYL)PYRIDINE) ; ;A.V.MUEHLDORF,D.VAN ENGEN,J.C.WARNER,A.D.HAMILTON 1988, J.AM.CHEM.SOC., 110, 6561 ; vevbut thy 1 3.50 0.006-0.010A ;3'-DEOXY-3'-FLUOROTHYMIDINE 1-(2,3-DIDEOXY-3-FLUORO-BETA-D-ERYTHRO-PENTOFURANSOYL)THYMINE ; ;D.H.EVERAERT,O.M.PEETERS,N.M.BLATON,C.J.DE RANTER 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 1730 ; vevbut thy 2 3.50 0.006-0.010A ;3'-DEOXY-3'-FLUOROTHYMIDINE 1-(2,3-DIDEOXY-3-FLUORO-BETA-D-ERYTHRO-PENTOFURANSOYL)THYMINE ; ;D.H.EVERAERT,O.M.PEETERS,N.M.BLATON,C.J.DE RANTER 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 1730 ; vevbut01 thy 1 4.10 0.001-0.005A ;3'-FLUORO-3'-DEOXYTHYMIDINE (ANTIHUMAN IMMUNODEFICIENCY VIRUS (HIV) ACTIVITY, AT 160 DEG.K) ; 'P.VAN ROEY,R.F.SCHINAZI 1990, ANTIVIRAL CHEMISTRY & CHEMOTHERAPY, 1, 93' vevbut01 thy 2 4.10 0.001-0.005A ;3'-FLUORO-3'-DEOXYTHYMIDINE (ANTIHUMAN IMMUNODEFICIENCY VIRUS (HIV) ACTIVITY, AT 160 DEG.K) ; 'P.VAN ROEY,R.F.SCHINAZI 1990, ANTIVIRAL CHEMISTRY & CHEMOTHERAPY, 1, 93' vevbut01 thy 3 4.10 0.001-0.005A ;3'-FLUORO-3'-DEOXYTHYMIDINE (ANTIHUMAN IMMUNODEFICIENCY VIRUS (HIV) ACTIVITY, AT 160 DEG.K) ; 'P.VAN ROEY,R.F.SCHINAZI 1990, ANTIVIRAL CHEMISTRY & CHEMOTHERAPY, 1, 93' vevbut01 thy 4 4.10 0.001-0.005A ;3'-FLUORO-3'-DEOXYTHYMIDINE (ANTIHUMAN IMMUNODEFICIENCY VIRUS (HIV) ACTIVITY, AT 160 DEG.K) ; 'P.VAN ROEY,R.F.SCHINAZI 1990, ANTIVIRAL CHEMISTRY & CHEMOTHERAPY, 1, 93' viggex thy 1 2.70 0.001-0.005A 1-(2,6-DIDEOXY-ALPHA-L-LYXO-HEXOFURANOSYL)THYMINE ;G.M.JAVADOVA,G.V.GURSKAYA,N.SH.PADUKOVA,S.N.MIKHAILOV 1989, BIOORG.KHIM., 15, 976 ; vikfea thy 1 3.80 0.006-0.010A '(+)-CARBA-THYMIDINE (ANTIHSV ACTIVITY)' 'A.KALMAN,T.KORITSANSZKY,J.BERES,G.SAGI 1990, NUCLEOSIDES AND NUCLEOTIDES, 9, 235' welmef thy 1 3.49 0.001-0.005A ;4'-AZIDOTHYMIDINE (POTENT HIV-INHIBITORY ACTIVITY) ; 'H.MAAG,J.T.NELSON,J.L.R.STEINER,E.J.PRISBE 1994, J.MED.CHEM., 37, 431' welmef thy 2 3.49 0.001-0.005A ;4'-AZIDOTHYMIDINE (POTENT HIV-INHIBITORY ACTIVITY) ; 'H.MAAG,J.T.NELSON,J.L.R.STEINER,E.J.PRISBE 1994, J.MED.CHEM., 37, 431' yavkub thy 1 2.80 0.001-0.005A '(3'S,5'R)-1-(2'-DEOXY-3',5'-ETHANO-BETA-D-RIBOFURANOSYL)-THYMINE' 'M.TARKOY,M.BOLLI,B.SCHWEIZER,C.LEUMANN 1993, HELV.CHIM.ACTA, 76, 481' yogyey thy 1 4.40 0.001-0.005A CIS-4(R,S)-HYDROXYMETHYL-2(S,R)-(THYMIN-1-YLMETHYL)-1,3-DIOXOLANE ;A.V.BOCHKAREV,E.V.EFIMTSEVA,S.N.MIKHAILOV,G.V.GURSKAYA 1994, KRISTALLOGRAFIYA, 39, 635 ; yogyic thy 1 3.90 0.001-0.005A CIS-2(R,S)-HYDROXYMETHYL-4(S,R)-(THYMIN-1-YLMETHYL)-1,3-DIOXOLANE ;A.V.BOCHKAREV,E.V.EFIMTSEVA,S.N.MIKHAILOV,G.V.GURSKAYA 1994, KRISTALLOGRAFIYA, 39, 635 ; yuyyia thy 1 3.69 0.006-0.010A ;2',3'-DIDEOXY-3'-C,2'-N-((3R,5R)-5-ETHOXYCARBONYL-2-METHYL-1,2-ISOXAZOLIDINE)-RIBOTHYMIDINE ETHYL 4-(2-HYDROXYMETHYL)-1-METHYL-6-(5-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-1-PYRIMIDINYL)-1,3,3A,6A-TETRAHYDRO-4H,6H-FURANO(3,4-C)(1,2)ISOXAZOLE-3-CARBOXYLATE ; ;B.M.BURKHART,A.PAPCHIKHIN,J.CHATTOPADHYAYA,M.SUNDARALINGAM 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 1462 ; zabsaw thy 1 3.70 0.006-0.010A ;3'-(TETRAZOL-2''-YL)-3'-DEOXYTHYMIDINE MONOHYDRATE ; ;V.A.OSTROVSKII,E.P.STUDENTSOV,V.S.POPLAVSKII,N.V.IVANOVA,G.V.GURSKAYA,V.E.ZAVODNIK,M.V.JAS'KO,D.G.SEMIZAROV 1995, BIOORG.KHIM., 21, 49 ; zasquf thy 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 thy 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 ; zexwii thy 1 2.70 0.001-0.005A ;5'-AZIDO-2',5'-DIDEOXYTHYMIDINE (AT 130 DEG.K, ABSOLUTE CONFIGURATION) ; ;H.-G.SCHAIBLE,J.W.BATS,J.W.ENGELS 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 2410 ; zexwii thy 2 2.70 0.001-0.005A ;5'-AZIDO-2',5'-DIDEOXYTHYMIDINE (AT 130 DEG.K, ABSOLUTE CONFIGURATION) ; ;H.-G.SCHAIBLE,J.W.BATS,J.W.ENGELS 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 2410 ; zugric thy 1 4.43 0.001-0.005A '1,1'-(1,2-PHENYLENEDIOXYDIETHYLENE)DITHYMINE' ;C.G.SURESH,B.P.GANGAMANI,K.N.GANESH 1996, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 52, 376 ; zugric thy 2 4.43 0.001-0.005A '1,1'-(1,2-PHENYLENEDIOXYDIETHYLENE)DITHYMINE' ;C.G.SURESH,B.P.GANGAMANI,K.N.GANESH 1996, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 52, 376 ; cezbis deoxyribose 1 3.50 0.001-0.005A '2'-DEOXYADENOSINE' 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 880' docytc deoxyribose 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 deoxyribose 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' hevxov deoxyribose 1 3.00 0.001-0.005A '5-HYDROXYMETHYL-2'-DEOXYCYTIDINE' ;JUN LI,S.V.P.KUMAR,A.L.STUART,L.T.J.DELBAERE,S.V.GUPTA 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1837 ; jappev deoxyribose 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; zozvuf deoxyribose 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 ; cezbis deoxyribose_C3endo_O3H 1 3.50 0.001-0.005A '2'-DEOXYADENOSINE' 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 880' docytc deoxyribose_C3endo_O3H 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 deoxyribose_C3endo_O3H 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' hevxov deoxyribose_C3endo_O3H 1 3.00 0.001-0.005A '5-HYDROXYMETHYL-2'-DEOXYCYTIDINE' ;JUN LI,S.V.P.KUMAR,A.L.STUART,L.T.J.DELBAERE,S.V.GUPTA 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1837 ; jappev deoxyribose_C3endo_O3H 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; zozvuf deoxyribose_C3endo_O3H 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 ; boxgie deoxyribose_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_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_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_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_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_O5P 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' jafhih deoxyribose_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_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_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_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 ; jappev deoxyribose_O5P 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; 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 . . . . . gidtiw deoxyribose_C3endo_pyrimidine 1 4.20 0.006-0.010A . . hevxov deoxyribose_C3endo_pyrimidine 1 3.00 0.001-0.005A . . zozvuf deoxyribose_C3endo_pyrimidine 1 4.56 0.001-0.005A . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . C3endo_pyrimidine_anti . . . . . . 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 . . . . . #