# Minimized with a chisquare of 0.062136. ################################################################################ # # File: C_riboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 19:27:13 # # 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_C_riboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id C_riboseC3endo_O3H_O5P_anti_+sc _chem_comp.name 'cytidine-5'-phosphate' _chem_comp.type 'RNA linking' _chem_comp.model_details ;Model constructed for cytidine-5'-phosphate from subcomponents for base, sugar and phosphate. The sugar is ribose 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 'H11 C9 N3 O8 P1 ' _chem_comp.formula_weight 320.20 _chem_comp.number_atoms_all 32 _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 C_riboseC3endo_O3H_O5P_anti_+sc cyt base 'Model constructed for cytosine with an N1-glycosidic linkage.' C_riboseC3endo_O3H_O5P_anti_+sc ribose_C3endo_O3H_O5P_+sc sugar ;Model constructed for 1'-amino-ribose 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. ; C_riboseC3endo_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 ribose_pyrimidine sugar base ribose_C3endo_O3H_O5P_+sc cyt ribose_O5_PO4 sugar phosphate ribose_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 47 cyt 512 ;Mon Dec 8 13:25:10 1997 ; 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc csd 26 ribose 512 ;Mon Dec 8 13:30:59 1997 ; 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc csd 23 ribose_C3endo_O3H 512 ;Mon Dec 8 13:40:25 1997 ; 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc csd 19 ribose_O5P 512 ;Mon Dec 8 13:49:41 1997 ; 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc csd 94 all_ribose_gamma 512 ;Mon Dec 8 14:31:38 1997 ; 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . C_riboseC3endo_O3H_O5P_anti_+sc csd 13 ribose_C3endo_pyrimidine 512 'Wed Jul 2 01:42:39 1997' 'Sep 15 19:34:11 BST 1996' C_riboseC3endo_O3H_O5P_anti_+sc csd 16 C3endo_pyrimidine_anti . . . C_riboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . C_riboseC3endo_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 C_riboseC3endo_O3H_O5P_anti_+sc N1 N base 0 -0.6349 0.6660 2.2475 C_riboseC3endo_O3H_O5P_anti_+sc C2 C base 0 -0.5954 0.1095 3.5284 C_riboseC3endo_O3H_O5P_anti_+sc N3 N base 0 -1.4456 0.5711 4.4766 C_riboseC3endo_O3H_O5P_anti_+sc C4 C base 0 -2.3273 1.5291 4.1759 C_riboseC3endo_O3H_O5P_anti_+sc C5 C base 0 -2.3940 2.1024 2.8742 C_riboseC3endo_O3H_O5P_anti_+sc C6 C base 0 -1.5372 1.6473 1.9517 C_riboseC3endo_O3H_O5P_anti_+sc O2 O base 0 0.2229 -0.7893 3.7648 C_riboseC3endo_O3H_O5P_anti_+sc N4 N base 0 -3.1545 1.9471 5.1336 C_riboseC3endo_O3H_O5P_anti_+sc H4A H base 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc H4B H base 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc H5 H base 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc H6 H base 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 0.5454 0.4010 1.3840 C_riboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 1.8554 0.6750 2.1258 C_riboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 2.7238 1.2235 0.9959 C_riboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 1.7238 2.0279 0.1827 C_riboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 2.0826 2.2515 -1.2634 C_riboseC3endo_O3H_O5P_anti_+sc O2* O sugar 0 1.6137 1.6863 3.0930 C_riboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 3.8115 2.0040 1.4485 C_riboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 0.4975 1.2615 0.2709 C_riboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 2.4113 1.0014 -1.9072 C_riboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HAO2* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . C_riboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 2.6194 -0.3280 -1.0544 C_riboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 1.4823 -0.5276 -0.1206 C_riboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 3.0362 -1.4483 -1.9354 C_riboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 3.8048 -0.0185 -0.2153 # 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 C_riboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.46 0.06 sign 53.98 1.12 C_riboseC3endo_O3H_O5P_anti_+sc 2 C2* 4 3 sign -2.78 0.05 sign -58.69 1.70 C_riboseC3endo_O3H_O5P_anti_+sc 3 C3* 4 3 sign -2.50 0.08 sign -51.22 2.20 C_riboseC3endo_O3H_O5P_anti_+sc 4 C4* 4 3 sign 2.49 0.06 sign 50.79 1.30 # 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 C_riboseC3endo_O3H_O5P_anti_+sc O4* 1 2 C_riboseC3endo_O3H_O5P_anti_+sc C2* 1 3 C_riboseC3endo_O3H_O5P_anti_+sc N 2 1 C_riboseC3endo_O3H_O5P_anti_+sc C1* 2 2 C_riboseC3endo_O3H_O5P_anti_+sc C3* 2 3 C_riboseC3endo_O3H_O5P_anti_+sc O2* 3 1 C_riboseC3endo_O3H_O5P_anti_+sc C2* 3 2 C_riboseC3endo_O3H_O5P_anti_+sc C4* 3 3 C_riboseC3endo_O3H_O5P_anti_+sc O3* 4 1 C_riboseC3endo_O3H_O5P_anti_+sc C3* 4 2 C_riboseC3endo_O3H_O5P_anti_+sc O4* 4 3 C_riboseC3endo_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 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3967 0.0096 C_riboseC3endo_O3H_O5P_anti_+sc C2 N3 sing 1.3546 0.0099 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 doub 1.3367 0.0100 C_riboseC3endo_O3H_O5P_anti_+sc C4 C5 sing 1.4243 0.0088 C_riboseC3endo_O3H_O5P_anti_+sc C5 C6 doub 1.3389 0.0087 C_riboseC3endo_O3H_O5P_anti_+sc C6 N1 sing 1.3653 0.0070 C_riboseC3endo_O3H_O5P_anti_+sc C2 O2 doub 1.2383 0.0089 C_riboseC3endo_O3H_O5P_anti_+sc C4 N4 sing 1.3328 0.0097 C_riboseC3endo_O3H_O5P_anti_+sc N4 H4A sing . . C_riboseC3endo_O3H_O5P_anti_+sc N4 H4B sing . . C_riboseC3endo_O3H_O5P_anti_+sc C5 H5 sing . . C_riboseC3endo_O3H_O5P_anti_+sc C6 H6 sing . . C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5301 0.0131 C_riboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5271 0.0074 C_riboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5196 0.0121 C_riboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4489 0.0094 C_riboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4076 0.0078 C_riboseC3endo_O3H_O5P_anti_+sc C2* O2* sing 1.4201 0.0094 C_riboseC3endo_O3H_O5P_anti_+sc O2* HAO2* sing 1.435 0.013 C_riboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4132 0.0049 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* sing 1.5065 0.0081 C_riboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4439 0.0100 C_riboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing 1.516 0.008 C_riboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 C_riboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 C_riboseC3endo_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 ribose_pyrimidine C1* N1 1 2 sing 1.4865 0.0089 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 C_riboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 120.32 0.52 2.40 0.01 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 119.12 0.65 2.37 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 120.02 0.46 2.33 0.02 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 121.68 0.70 2.41 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 117.53 0.73 2.36 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 121.12 0.51 2.35 0.01 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 O2 118.93 0.71 2.27 0.01 C_riboseC3endo_O3H_O5P_anti_+sc N3 C2 O2 121.95 0.67 2.27 0.01 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 N4 118.21 0.92 2.29 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C5 C4 N4 120.11 0.73 2.39 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 101.03 0.80 2.36 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.21 1.01 2.37 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.10 0.66 2.34 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 109.97 0.70 2.34 0.01 C_riboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.59 0.65 2.37 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* O2* 108.24 1.82 2.39 0.03 C_riboseC3endo_O3H_O5P_anti_+sc C3* C2* O2* 110.24 1.94 2.42 0.03 C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 113.59 1.53 2.46 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.68 1.76 2.44 0.03 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.79 1.39 2.56 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.78 1.07 2.42 0.02 C_riboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 110.66 2.05 2.41 0.03 C_riboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . C_riboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . C_riboseC3endo_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 ribose_pyrimidine C2 N1 C1* 2 2 1 116.62 0.88 2.4400 0.0200 ribose_pyrimidine C6 N1 C1* 2 2 1 122.40 0.89 2.5000 0.0100 ribose_pyrimidine N1 C1* C2* 2 1 1 111.65 0.94 2.5000 0.0100 ribose_pyrimidine N1 C1* O4* 2 1 1 108.88 0.43 2.3600 0.0100 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 C_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 C_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 C_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 C_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-O2 C6 N1 C2 O2 C_riboseC3endo_O3H_O5P_anti_+sc C4-N3-C2-O2 C4 N3 C2 O2 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-N4 C2 N3 C4 N4 C_riboseC3endo_O3H_O5P_anti_+sc C6-C5-C4-N4 C6 C5 C4 N4 C_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* C_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* C_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* C1* C2* C3* O3* C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* O3* C3* C2* O2* # _chem_link_tor.link_id ribose_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 C_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 1.13 3.09 2.70 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.21 2.66 2.76 0.01 C_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 0.06 3.62 2.75 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 0.28 2.05 2.70 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 0.09 2.67 2.76 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 359.20 4.32 2.75 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-O2 179.31 3.98 3.51 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4-N3-C2-O2 181.02 2.75 3.47 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-N4 179.42 2.48 3.54 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C6-C5-C4-N4 179.86 3.56 3.58 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 3.53 4.87 2.37 0.02 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 334.37 3.95 2.34 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 36.70 2.48 2.34 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 324.20 2.68 2.37 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 20.45 4.27 2.36 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 203.61 2.82 3.74 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 81.27 3.80 3.23 0.03 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 201.87 3.83 3.60 0.02 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 C_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 145.01 4.68 3.57 0.02 C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 158.39 3.34 3.64 0.02 C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* 44.06 3.47 2.77 0.05 # _chem_link_tor_value.link_id ribose_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 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' cyt 1.3971 1.3967 -0.0004 C_riboseC3endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' cyt 1.3547 1.3546 -0.0001 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' cyt 1.3362 1.3367 0.0005 C_riboseC3endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' cyt 1.4239 1.4243 0.0004 C_riboseC3endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' cyt 1.3388 1.3389 0.0001 C_riboseC3endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' cyt 1.3655 1.3653 -0.0002 C_riboseC3endo_O3H_O5P_anti_+sc C2 O2 '1,2,5 ' cyt 1.2383 1.2383 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc C4 N4 '1,2,5 ' cyt 1.3328 1.3328 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc N4 H4A 1 cyt . . . C_riboseC3endo_O3H_O5P_anti_+sc N4 H4B 1 cyt . . . C_riboseC3endo_O3H_O5P_anti_+sc C5 H5 1 cyt . . . C_riboseC3endo_O3H_O5P_anti_+sc C6 H6 1 cyt . . . C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 ribose 1.5302 1.5301 -0.0001 C_riboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 ribose 1.5269 1.5271 0.0002 C_riboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 ribose 1.5193 1.5196 0.0003 C_riboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 ribose 1.4489 1.4489 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 ribose 1.4078 1.4076 -0.0002 C_riboseC3endo_O3H_O5P_anti_+sc C2* O2* 1 ribose 1.4201 1.4201 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc C2* HAO2* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' ribose_C3endo_O3H 1.4132 1.4132 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* 1 ribose 1.5065 1.5065 0.0000 C_riboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' ribose_O5P 1.4440 1.4439 -0.0001 C_riboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 ribose . . . C_riboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4849 1.4850 0.0001 C_riboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4849 1.4850 0.0001 C_riboseC3endo_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 ribose_pyrimidine ribose_C3endo_pyrimidine C1* N1 1 2 1.4863 1.4865 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 C_riboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 cyt 120.24 120.32 0.08 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 cyt 119.22 119.12 -0.10 C_riboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 cyt 120.06 120.02 -0.04 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 cyt 121.69 121.68 -0.01 C_riboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 cyt 117.59 117.53 -0.06 C_riboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 cyt 121.19 121.12 -0.07 C_riboseC3endo_O3H_O5P_anti_+sc N1 C2 O2 cyt 118.87 118.93 0.06 C_riboseC3endo_O3H_O5P_anti_+sc N3 C2 O2 cyt 121.90 121.95 0.05 C_riboseC3endo_O3H_O5P_anti_+sc N3 C4 N4 cyt 118.21 118.21 0.00 C_riboseC3endo_O3H_O5P_anti_+sc C5 C4 N4 cyt 120.10 120.11 0.01 C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* ribose 101.10 101.03 -0.07 C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* ribose 102.24 102.21 -0.03 C_riboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* ribose 104.15 104.10 -0.05 C_riboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* ribose 110.04 109.97 -0.07 C_riboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* ribose 107.64 107.59 -0.05 C_riboseC3endo_O3H_O5P_anti_+sc C1* C2* O2* ribose 108.18 108.24 0.06 C_riboseC3endo_O3H_O5P_anti_+sc C3* C2* O2* ribose 110.18 110.24 0.06 C_riboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* ribose 113.52 113.59 0.07 C_riboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* ribose 112.68 112.68 0.00 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* ribose 115.82 115.79 -0.03 C_riboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* ribose 109.79 109.78 -0.01 C_riboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* ribose 110.71 110.66 -0.05 C_riboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.12 119.60 0.48 C_riboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.49 108.30 1.81 C_riboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.57 107.30 1.73 # 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 ribose_pyrimidine ribose_C3endo_pyrimidine C2 N1 C1* 2 2 1 116.0485 116.6200 0.5715 ribose_pyrimidine ribose_C3endo_pyrimidine C6 N1 C1* 2 2 1 121.8060 122.4000 0.5940 ribose_pyrimidine ribose_C3endo_pyrimidine N1 C1* C2* 2 1 1 111.4883 111.6500 0.1617 ribose_pyrimidine ribose_C3endo_pyrimidine N1 C1* O4* 2 1 1 108.8616 108.8800 0.0184 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 120.8955 120.9000 0.0045 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4127 110.7000 0.2873 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4074 110.7000 0.2926 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4644 104.0000 0.5356 # 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 C_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 cyt 1.33 1.13 -0.20 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 cyt 359.22 359.21 -0.01 C_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 cyt 0.00 0.06 0.06 C_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 cyt 0.19 0.28 0.09 C_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 cyt 0.37 0.09 -0.28 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 cyt 358.86 359.20 0.34 C_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-O2 cyt 179.21 179.31 0.10 C_riboseC3endo_O3H_O5P_anti_+sc C4-N3-C2-O2 cyt 180.97 181.02 0.05 C_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-N4 cyt 179.39 179.42 0.03 C_riboseC3endo_O3H_O5P_anti_+sc C6-C5-C4-N4 cyt 179.83 179.86 0.03 C_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* ribose 3.43 3.53 0.10 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* ribose 334.43 334.37 -0.06 C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* ribose 36.70 36.70 0.00 C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* ribose 324.16 324.20 0.04 C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* ribose 20.54 20.45 -0.09 C_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* ribose 203.51 203.61 0.10 C_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 51.54 52.19 0.65 C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* ribose 81.29 81.27 -0.02 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* ribose 201.94 201.87 -0.07 C_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 293.99 293.22 -0.77 C_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* ribose 145.16 145.01 -0.15 C_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* ribose 158.35 158.39 0.04 C_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* ribose 44.09 44.06 -0.03 # _ndb_chem_link_tor.link_id ribose_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 193.30 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta 0.00 # 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 acytid cyt 1 3.30 0.001-0.005A 'ALPHA-CYTIDINE (FOR STEREOISOMER SEE CYTIDI10)' 'M.L.POST,G.I.BIRNBAUM,C.P.HUBER,D.SHUGAR 1977, BIOCHIM.BIOPHYS.ACTA, 479, 133' bagxiq01 cyt 1 5.90 0.006-0.010A '3',5'-O-(1,1,3,3-TETRAISOPROPYLDISILOX-1,3-DIYL)-CYTIDINE' 'M.J.ROBINS,J.S.WILSON,L.SAWYER,M.N.G.JAMES 1983, CAN.J.CHEM., 61, 1911' bivvil cyt 1 2.80 0.006-0.010A ;2',3'-O-(TETRAISOPROPYL-1,3-DISILOXANEDIYL)-CYTIDINE (AT 97 DEG.K) ; 'J.D.HOOGENDORP,C.ROMERS 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 2738' bivvil cyt 2 2.80 0.006-0.010A ;2',3'-O-(TETRAISOPROPYL-1,3-DISILOXANEDIYL)-CYTIDINE (AT 97 DEG.K) ; 'J.D.HOOGENDORP,C.ROMERS 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 2738' bofwoi cyt 1 3.50 0.001-0.005A ;2'-DEOXY-2'-FLUOROCYTIDINE DIHYDRATE ; 'C.MARCK,B.LESYNG,W.SAENGER 1982, J.MOL.STRUCT., 82, 77' bomtay cyt 1 5.10 0.001-0.005A 1-VINYLCYTOSINE 'D.PFEIFFER,L.KUTSCHABSKY,S.HOFFMANN 1982, CRYST.STRUCT.COMMUN., 11, 1635' bosgof cyt 1 4.00 0.001-0.005A '1-(2-BETA-D-PSICOFURANOSYL)-CYTOSINE DIHYDRATE' ;G.V.GURSKAYA,G.M.JAVADOVA,S.G.ZAVGORODNY,T.L.TSILEVICH,B.P.GOTTIKH 1982, CRYST.STRUCT.COMMUN., 11, 1259 ; botsim cyt 1 3.90 0.001-0.005A ;1-(6-DEOXY-BETA-D-ALLOFURANOSYL)-CYTOSINE 5'-C-METHYLCYTIDINE ; ;G.V.GURSKAYA,A.S.ZHDANOV,S.N.MIKHAILOV,E.N.TSAPKINA 1982, CRYST.STRUCT.COMMUN., 11, 1245 ; botsim10 cyt 1 3.90 0.001-0.005A 1-(6-DESOXY-BETA-D-ALLOFURANOSYL)CYTOSINE ;G.M.DZHAVADOVA,G.V.GURSKAYA,E.SH.-B.GORELIK,S.N.MIKHAILOV 1988, KRISTALLOGRAFIYA, 33, 1408 ; boxgie cyt 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 ; budway10 cyt 1 4.40 0.001-0.005A '9-(2-CARBOXYETHYL)-GUANINE 1-METHYLCYTOSINE' 'S.FUJITA,A.TAKENAKA,Y.SASADA 1984, BULL.CHEM.SOC.JPN., 57, 1707' cimjen cyt 1 5.90 0.001-0.005A 3-(1-CYTOSINYL)PROPIONAMIDE ;S.FUJITA,A.TAKENAKA,Y.SASADA 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 1467 ; cupyuh cyt 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' cytcyp20 cyt 1 4.67 0.006-0.010A ;SODIUM BETA-CYTIDINE 2',3'-CYCLIC PHOSPHATE DIHYDRATE (OPTHALMOLOGIC AGENT) ; 'C.L.COULTER 1973, J.AM.CHEM.SOC., 95, 570' cytcyp20 cyt 2 4.67 0.006-0.010A ;SODIUM BETA-CYTIDINE 2',3'-CYCLIC PHOSPHATE DIHYDRATE (OPTHALMOLOGIC AGENT) ; 'C.L.COULTER 1973, J.AM.CHEM.SOC., 95, 570' cytidi01 cyt 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 cyt 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' decyuf cyt 1 4.90 0.001-0.005A 1-(2-HYDROXYETHYL)-CYTOSINE ;M.SHIBATA,A.TAKENAKA,Y.SASADA,M.OHKI 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1354 ; dxcytd01 cyt 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 cyt 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 cyt 3 3.78 0.006-0.010A ;2'-DEOXYCYTIDINE (MONOCLINIC BETA FORM.) ; 'K.SURMA,M.ALEJSKA,M.GAWRON 1994, POL.J.CHEM., 68, 2553' fikhow cyt 1 4.10 0.001-0.005A ;2',5'-ANHYDROARABINOSYLCYTOSINE HEMIHYDRATE (INHIBITORY ACTIVITY AGAINST GROWTH OF L1210 CELLS) ; 'G.I.BIRNBAUM,M.BUDESINSKY,J.BERANEK 1987, CAN.J.CHEM., 65, 271' fikhow cyt 2 4.10 0.001-0.005A ;2',5'-ANHYDROARABINOSYLCYTOSINE HEMIHYDRATE (INHIBITORY ACTIVITY AGAINST GROWTH OF L1210 CELLS) ; 'G.I.BIRNBAUM,M.BUDESINSKY,J.BERANEK 1987, CAN.J.CHEM., 65, 271' fovxet cyt 1 5.60 0.006-0.010A ;5'-AZIDO-5'-DEOXY-1-BETA-D-ARABINOFURANOSYL-CYTOSINE SESQUIHYDRATE (ANTIVIRAL ACTIVITY) ; ;G.BISWAS,A.BANERJEE,W.SAENGER 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 1731 ; gahhom cyt 1 5.00 0.001-0.005A ;2',3'-DIDEOXYCYTIDINE (AGENT OF POTENTIAL USE IN AIDS THERAPY) ; ;J.V.SILVERTON,F.R.QUINN,R.D.HAUGWITZ,L.J.TODARO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 321 ; gahhom01 cyt 1 3.70 0.001-0.005A ;2',3'-DIDEOXYCYTIDINE (AGENT OF POTENTIAL USE IN AIDS THERAPY) ; 'G.I.BIRNBAUM,TAI-SHUN LIN,W.H.PRUSOFF 1988, BIOCHEM.BIOPHYS.RES.COMM., 151, 608' gigmoy cyt 1 3.20 0.001-0.005A ;5'-CHLORO-5'-DEOXYARABINOFURANOSYL-CYTOSINE (ACTIVITY AS INHIBITOR OF NUCLEIC ACID SYNTHESIS) ; 'G.I.BIRNBAUM,M.BUDESINSKY,J.BERANEK 1988, CAN.J.CHEM., 66, 1203' gouger10 cyt 1 4.80 0.006-0.010A ;4-AMINO-1-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1,4-DIDEOXY-BETA-D-GLUCOPYRANURONIC ACID MONOHYDRATE ; ;P.SWAMINATHAN,J.MCALISTER,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 878 ; gouger10 cyt 2 4.80 0.006-0.010A ;4-AMINO-1-(4-AMINO-2-OXO-1(2H)-PYRIMIDINYL)-1,4-DIDEOXY-BETA-D-GLUCOPYRANURONIC ACID MONOHYDRATE ; ;P.SWAMINATHAN,J.MCALISTER,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 878 ; jikhoa cyt 1 3.30 0.006-0.010A ;2',3'-DIDEOXY-3'-FLUOROCYTIDINE 1-(2,3-DIDEOXY-3-FLUORO-BETA-D-ERYTHRO-PENTOFURANOSYL)CYTOSINE ; ;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, 832 ; jikhoa cyt 2 3.30 0.006-0.010A ;2',3'-DIDEOXY-3'-FLUOROCYTIDINE 1-(2,3-DIDEOXY-3-FLUORO-BETA-D-ERYTHRO-PENTOFURANOSYL)CYTOSINE ; ;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, 832 ; juhlaz cyt 1 4.20 0.001-0.005A ;2'-DEOXY-2'-METHYLIDENECYTIDINE DIHYDRATE (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 ; kosnov cyt 1 4.40 0.001-0.005A 1-(2,3-DIDEOXY-ERYTHRO-BETA-D-HEXOPYRANOSYL)CYTOSINE ;H.L.DE WINTER,C.J.DE RANTER,N.M.BLATON,O.M.PEETERS,A.VAN AERSCHOT,P.HERDEWIJN 1992, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 48, 95 ; marafc cyt 1 3.80 0.001-0.005A '3'-O-METHYL-1-BETA-D-ARABINOFURANOSYLCYTOSINE' 'G.I.BIRNBAUM,E.DARZYNKIEWICZ,D.SHUGAR 1975, J.AM.CHEM.SOC., 97, 5904' metcyt01 cyt 1 4.50 0.001-0.005A 1-METHYLCYTOSINE 'M.ROSSI,T.J.KISTENMACHER 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 3962' nagliq cyt 1 2.79 0.001-0.005A 'N-1--((2'-DEOXY-BETA-D-RIBO-PENTOFURANOSYL)METHYL)CYTOSINE' ;N.HOSSAIN,N.BLATON,O.PEETERS,J.ROZENSKI,P.A.HERDEWIJN 1996, TETRAHEDRON, 52, 5563 ; segmas cyt 1 3.20 0.001-0.005A 1-(6-DESOXY-ALPHA-D-TALOFURANOSYL)CYTOSINE ;G.M.DZHAVADOVA,G.V.GURSKAYA,E.SH.-B.GORELIK,S.N.MIKHAILOV 1988, KRISTALLOGRAFIYA, 33, 1408 ; sivzus cyt 1 3.20 0.001-0.005A ;1-(3-DEOXY-BETA-D-THREO-PENTOFURANOSYL)CYTOSINE HEMIHYDRATE (ANTICANCER ACTIVITY) 1-(3-DEOXY-BETA-D-ARABINOSYL)CYTOSINE HEMIHYDRATE ; ;TAI-SHUN LIN,JING-HUA YANG,MAO-CHIN LIU,ZHI-YI SHEN,YUNG-CHI CHENG,W.H.PRUSOFF,G.I.BIRNBAUM,J.GIZIEWICZ,I.GHAZZOULI,V.BRANKOVAN,JUE-SUN FENG,GUEH-DJEN HSIUNG 1991, J.MED.CHEM., 34, 693 ; sivzus cyt 2 3.20 0.001-0.005A ;1-(3-DEOXY-BETA-D-THREO-PENTOFURANOSYL)CYTOSINE HEMIHYDRATE (ANTICANCER ACTIVITY) 1-(3-DEOXY-BETA-D-ARABINOSYL)CYTOSINE HEMIHYDRATE ; ;TAI-SHUN LIN,JING-HUA YANG,MAO-CHIN LIU,ZHI-YI SHEN,YUNG-CHI CHENG,W.H.PRUSOFF,G.I.BIRNBAUM,J.GIZIEWICZ,I.GHAZZOULI,V.BRANKOVAN,JUE-SUN FENG,GUEH-DJEN HSIUNG 1991, J.MED.CHEM., 34, 693 ; waxluc cyt 1 5.00 0.001-0.005A '2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE' 'P.VAN ROEY,E.W.TAYLOR,C.K.CHU,R.F.SCHINAZI 1993, J.AM.CHEM.SOC., 115, 5365' waxluc cyt 2 5.00 0.001-0.005A '2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE' 'P.VAN ROEY,E.W.TAYLOR,C.K.CHU,R.F.SCHINAZI 1993, J.AM.CHEM.SOC., 115, 5365' wipwib cyt 1 3.14 0.001-0.005A '(2',3'-DIDEOXY-BETA-D-GLYCERO-PENT-2'-ENOPYRANOSYL)CYTOSINE' 'B.DOBOSZEWSKI,N.BLATON,P.HERDEWIJN 1995, J.ORG.CHEM., 60, 7909' wipwib cyt 2 3.14 0.001-0.005A '(2',3'-DIDEOXY-BETA-D-GLYCERO-PENT-2'-ENOPYRANOSYL)CYTOSINE' 'B.DOBOSZEWSKI,N.BLATON,P.HERDEWIJN 1995, J.ORG.CHEM., 60, 7909' wisgek cyt 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 ; xyfcyt10 cyt 1 3.30 0.001-0.005A 1-ALPHA-D-XYLOFURANOSYL-CYTOSINE 'M.L.POST,C.P.HUBER,G.I.BIRNBAUM,D.SHUGAR 1981, CAN.J.CHEM., 59, 238' yukliz cyt 1 2.80 0.001-0.005A S-(+)-CYTALLENE ;B.C.N.M.JONES,J.V.SILVERTON,C.SIMONS,S.MEGATI,H.NISHIMURA,Y.MAEDA,H.MITSUYA,J.ZEMLICKA 1995, J.MED.CHEM., 38, 1397 ; zozvuf cyt 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 ; adenos01 ribose 1 4.40 0.001-0.005A 'ADENOSINE (NEUTRON DIFFRACTION AT 123 DEG.K)' ;W.T.KLOOSTER,J.R.RUBLE,B.M.CRAVEN,R.K.MCMULLAN 1991, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 47, 376 ; admpot10 ribose 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adposd ribose 1 4.30 0.006-0.010A ;ADENOSINE-3'-PHOSPHATE DIHYDRATE ; 'M.SUNDARALINGAM 1966, ACTA CRYSTALLOGR., 21, 495' adypur10 ribose 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 ribose 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 ribose 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 ribose 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 ribose 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 ribose 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 ribose 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 ribose 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 ; cupyuh ribose 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' cytidi01 ribose 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 ribose 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 ribose 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 ; gaknov ribose 1 4.20 0.001-0.005A '3-BETA-D-RIBOFURANOSYLADENINE 3-ISOADENOSINE' ;S.KUMAR,S.R.WILSON,N.J.LEONARD 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 508 ; guanph01 ribose 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 ribose 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 ribose 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 ribose 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid ribose 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 ribose 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 ribose 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 ribose 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 ribose 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 ribose 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' adenos01 ribose_C3endo_O3H 1 4.40 0.001-0.005A 'ADENOSINE (NEUTRON DIFFRACTION AT 123 DEG.K)' ;W.T.KLOOSTER,J.R.RUBLE,B.M.CRAVEN,R.K.MCMULLAN 1991, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 47, 376 ; admpot10 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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' beurid10 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ; cupyuh ribose_C3endo_O3H 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' cytidi01 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ; gaknov ribose_C3endo_O3H 1 4.20 0.001-0.005A '3-BETA-D-RIBOFURANOSYLADENINE 3-ISOADENOSINE' ;S.KUMAR,S.R.WILSON,N.J.LEONARD 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 508 ; guanph01 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid ribose_C3endo_O3H 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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 ribose_C3endo_O3H 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' cekluz ribose_O5P 1 4.90 0.001-0.005A 'DISODIUM URIDINE DIPHOSPHOGLUCOSE DIHYDRATE' 'Y.SUGAWARA,H.IWASAKI 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 389' coczid ribose_O5P 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' daurid01 ribose_O5P 1 3.95 0.001-0.005A ;3',5'-DIACETYLURIDINE (AT -170DEG.C) ; ;R.A.G.DE GRAAFF,G.ADMIRAAL,E.H.KOEN,C.ROMERS 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2459 ; dotxuf10 ribose_O5P 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' guopna10 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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' suromm ribose_O5P 1 2.50 0.006-0.010A ;SODIUM URIDINE-5'-O-METHYLPHOSPHATE METHANOL SOLVATE ; 'J.D.HOOGENDORP,C.ROMERS 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2724' admpot10 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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' cupyuh ribose_O5P 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' guanph01 ribose_O5P 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 ribose_O5P 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 ribose_O5P 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 ; 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 . . . . . adypur10 ribose_C3endo_pyrimidine 1 5.70 0.006-0.010A . . adypur10 ribose_C3endo_pyrimidine 2 5.70 0.006-0.010A . . beurid10 ribose_C3endo_pyrimidine 1 3.30 0.001-0.005A . . beurid10 ribose_C3endo_pyrimidine 2 3.30 0.001-0.005A . . cupyuh ribose_C3endo_pyrimidine 1 3.40 0.001-0.005A . . cytidi01 ribose_C3endo_pyrimidine 1 2.87 0.001-0.005A . . cytidi02 ribose_C3endo_pyrimidine 1 5.40 0.001-0.005A . . jucjas ribose_C3endo_pyrimidine 1 6.53 0.006-0.010A . . meurid ribose_C3endo_pyrimidine 1 7.50 0.006-0.010A . . mxurid01 ribose_C3endo_pyrimidine 1 3.10 0.001-0.005A . . taljar ribose_C3endo_pyrimidine 1 3.60 0.001-0.005A . . taljar ribose_C3endo_pyrimidine 2 3.60 0.001-0.005A . . uroame ribose_C3endo_pyrimidine 1 4.00 0.006-0.010A . . . 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 . . . . . . 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 . . . . . #