# Minimized with a chisquare of 0.055361. ################################################################################ # # File: A_deoxyriboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 16:52:30 # # 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_A_deoxyriboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id A_deoxyriboseC3endo_O3H_O5P_anti_+sc _chem_comp.name '2'-deoxyadenosine-5'-phosphate' _chem_comp.type 'DNA linking' _chem_comp.model_details ;Model constructed for 2'-deoxyadenosine-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 'H11 C10 N5 O6 P1 ' _chem_comp.formula_weight 328.23 _chem_comp.number_atoms_all 33 _chem_comp.number_atoms_nh 22 _chem_comp.ndb_formal_charge -2 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details A_deoxyriboseC3endo_O3H_O5P_anti_+sc ade base 'Model constructed for neutral adenine with an N9-glycosidic linkage.' A_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. ; A_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 all_ribose_purine sugar base deoxyribose_C3endo_O3H_O5P_+sc ade 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 69 ade 512 ;Mon Dec 8 13:21:23 1997 ; 'Sep 15 19:34:11 BST 1996' A_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose 512 ;Mon Dec 8 13:29:26 1997 ; 'Sep 15 19:34:11 BST 1996' A_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' A_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 11 deoxyribose_O5P 512 ;Mon Dec 8 13:52:27 1997 ; 'Sep 15 19:34:11 BST 1996' A_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' A_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 1 C3endo_deoxyribose_purine 512 'Tue Jul 1 23:00:06 1997' 'Sep 15 19:34:11 BST 1996' A_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 12 C3endo_purine_anti . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . A_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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 N base 0 -0.0813 6.4028 -6.6515 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 C base 0 1.1150 5.8281 -6.4691 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 N base 0 1.7479 5.5444 -5.3350 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C base 0 1.0117 5.9190 -4.2730 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C base 0 -0.2322 6.5231 -4.2991 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C base 0 -0.7959 6.7680 -5.5641 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 N base 0 -0.7576 6.6208 -3.0181 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 C base 0 0.1645 6.0816 -2.2588 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 N base 0 1.2627 5.6345 -2.9517 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 N base 0 -1.9905 7.3381 -5.7453 A_deoxyriboseC3endo_O3H_O5P_anti_+sc H2 H base 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc H8 H base 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA6 H base 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HB6 H base 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 2.5685 5.2368 -2.4001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 3.2307 4.1296 -3.2025 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 3.9009 3.2898 -2.1294 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 2.9244 3.4089 -0.9694 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 3.5206 3.2467 0.4106 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 4.1117 1.9494 -2.5403 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 2.3593 4.7374 -1.0955 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 4.6517 4.1135 0.6015 A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HB2* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 5.2070 4.4204 2.0627 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 5.9737 5.6925 2.0691 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 5.8216 3.2032 2.6502 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 3.9755 4.6667 2.8550 # 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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.49 0.03 sign 54.18 0.78 A_deoxyriboseC3endo_O3H_O5P_anti_+sc 2 C3* 4 3 sign -2.51 0.10 sign -51.72 2.87 A_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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 1 2 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 1 3 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N 2 1 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 2 2 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* 2 3 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* 3 1 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* 3 2 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 3 3 A_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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3402 0.0098 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 doub 1.3296 0.0097 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 sing 1.3453 0.0065 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 doub 1.3822 0.0080 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 sing 1.4058 0.0101 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 doub 1.3516 0.0081 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 sing 1.3879 0.0085 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 doub 1.3111 0.0084 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 sing 1.3740 0.0101 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 sing 1.3744 0.0072 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N6 sing 1.3359 0.0088 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 H2 sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HA6 sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HB6 sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5192 0.0069 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5186 0.0110 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5212 0.0081 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4492 0.0060 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4123 0.0065 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4178 0.0067 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* sing 1.5120 0.0117 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4379 0.0099 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 A_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 A_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_purine C1* N9 sing 1 2 1.4722 0.0124 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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 118.64 1.05 2.31 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 129.23 0.87 2.41 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 110.62 0.62 2.20 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 126.85 0.71 2.44 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 117.03 0.52 2.38 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 117.58 0.81 2.36 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 110.79 0.68 2.28 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 103.80 0.54 2.12 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 113.81 0.55 2.25 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 105.76 0.50 2.19 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 105.82 0.53 2.20 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 127.32 0.84 2.44 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 132.14 0.75 2.55 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 N6 118.67 0.80 2.31 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N6 123.74 0.82 2.42 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 102.80 0.51 2.37 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.26 0.57 2.37 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.79 0.66 2.35 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 110.21 0.61 2.35 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.01 0.63 2.36 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 112.71 2.71 2.44 0.04 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.97 1.78 2.45 0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.64 1.14 2.57 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.36 0.32 2.42 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 111.28 1.54 2.42 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . A_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_purine C4 N9 C1* 2 2 1 125.591 1.165644 2.528 0.015 deoxyribose_purine C8 N9 C1* 2 2 1 127.981 1.182104 2.554 0.019 deoxyribose_purine N9 C1* C2* 2 1 1 112.573 1.208603 2.499 0.019 deoxyribose_purine N9 C1* O4* 2 1 1 108.12 0.9 2.325 0.011 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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 N9 C4 C5 N7 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 C4 C5 N7 C8 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 C5 N7 C8 N9 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 N7 C8 N9 C4 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 C8 N9 C4 C5 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 C2 N1 C6 N6 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* A_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* C1* C2* C3* O3* # _chem_link_tor.link_id deoxyribose_purine _chem_link_tor.id chi_anti_C3endo_purine _chem_link_tor.atom_id_1 O4* _chem_link_tor.atom_id_2 C1* _chem_link_tor.atom_id_3 N9 _chem_link_tor.atom_id_4 C4 _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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 0.06 1.36 2.66 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.77 1.33 2.65 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 0.39 1.82 2.83 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 359.63 1.92 2.66 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 0.24 1.66 2.65 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 359.91 1.51 2.83 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 0.07 0.90 2.25 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 359.97 0.74 2.19 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 359.97 0.80 2.20 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 0.07 0.99 2.28 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 359.92 0.96 2.12 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 180.22 1.78 3.53 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 4.17 7.07 2.37 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 335.52 5.35 2.35 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 34.16 2.49 2.35 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 327.62 3.09 2.36 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 18.00 6.18 2.37 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 207.16 3.23 3.73 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 85.70 4.91 3.28 0.06 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 206.16 5.02 3.59 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 142.55 6.60 3.57 0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 155.80 4.77 3.63 0.02 # _chem_link_tor_value.link_id deoxyribose_purine _chem_link_tor_value.tor_id chi_anti_C3endo_purine _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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' ade 1.3397 1.3402 0.0005 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' ade 1.3293 1.3296 0.0003 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' ade 1.3454 1.3453 -0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' ade 1.3831 1.3822 -0.0009 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' ade 1.4064 1.4058 -0.0006 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' ade 1.3515 1.3516 0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 '1,2,5 ' ade 1.3880 1.3879 -0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 '1,2,5 ' ade 1.3106 1.3111 0.0005 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 '1,2,5 ' ade 1.3733 1.3740 0.0007 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 '1,2,5 ' ade 1.3747 1.3744 -0.0003 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N6 1 ade 1.3359 1.3359 0.0000 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 H2 1 ade . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 1 ade . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HA6 1 ade . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HB6 1 ade . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 deoxyribose 1.5193 1.5192 -0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 deoxyribose 1.5185 1.5186 0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 deoxyribose 1.5210 1.5212 0.0002 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 deoxyribose 1.4492 1.4492 0.0000 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 deoxyribose 1.4125 1.4123 -0.0002 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' deoxyribose_C3endo_O3H 1.4178 1.4178 0.0000 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* 1 deoxyribose 1.5120 1.5120 0.0000 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' deoxyribose_O5P 1.4378 1.4379 0.0001 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 deoxyribose . . . A_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4852 1.4850 -0.0002 A_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4848 1.4850 0.0002 A_deoxyriboseC3endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4849 1.4850 0.0001 # 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_purine C3endo_deoxyribose_purine C1* N9 1 2 1.4723 1.4722 -0.0001 ribose_O5_PO4 phosphate_O5_1 P O5* 2 1 1.5930 1.5930 0.0000 # 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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 ade 118.59 118.64 0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 ade 129.26 129.23 -0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 ade 110.70 110.62 -0.08 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 ade 126.78 126.85 0.07 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 ade 116.97 117.03 0.06 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 ade 117.69 117.58 -0.11 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 ade 110.72 110.79 0.07 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 ade 103.85 103.80 -0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 ade 113.84 113.81 -0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 ade 105.76 105.76 0.00 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 ade 105.83 105.82 -0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 ade 126.96 127.32 0.36 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 ade 131.77 132.14 0.37 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 N6 ade 118.62 118.67 0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N6 ade 123.69 123.74 0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* deoxyribose 102.84 102.80 -0.04 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* deoxyribose 102.26 102.26 0.00 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* deoxyribose 104.82 104.79 -0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* deoxyribose 110.29 110.21 -0.08 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* deoxyribose 107.14 107.01 -0.13 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* deoxyribose 112.56 112.71 0.15 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* deoxyribose 112.99 112.97 -0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* deoxyribose 115.76 115.64 -0.12 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* deoxyribose 109.36 109.36 0.00 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* deoxyribose 111.51 111.28 -0.23 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.13 119.60 0.47 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.49 108.30 1.81 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.55 107.30 1.75 # 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_purine C3endo_deoxyribose_purine C4 N9 C1* 2 2 1 125.3055 125.5910 0.2855 deoxyribose_purine C3endo_deoxyribose_purine C8 N9 C1* 2 2 1 127.4560 127.9810 0.5250 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* C2* 2 1 1 112.6790 112.5730 -0.1060 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* O4* 2 1 1 108.0691 108.1200 0.0509 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 120.8074 120.9000 0.0926 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4175 110.7000 0.2825 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4448 110.7000 0.2552 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4319 104.0000 0.5681 # 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 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 ade 0.09 0.06 -0.03 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 ade 359.75 359.77 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 ade 0.37 0.39 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 ade 359.69 359.63 -0.06 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 ade 0.18 0.24 0.06 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 ade 359.93 359.91 -0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 ade 0.09 0.07 -0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 ade 359.95 359.97 0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 ade 359.99 359.97 -0.02 A_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 ade 0.07 0.07 0.00 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 ade 359.91 359.92 0.01 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 ade 180.17 180.22 0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* deoxyribose 3.89 4.17 0.28 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* deoxyribose 335.57 335.52 -0.05 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* deoxyribose 34.32 34.16 -0.16 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* deoxyribose 327.29 327.62 0.33 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* deoxyribose 18.38 18.00 -0.38 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* deoxyribose 206.73 207.16 0.43 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 51.99 52.19 0.20 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* deoxyribose 85.49 85.70 0.21 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* deoxyribose 206.05 206.16 0.11 A_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 293.92 293.22 -0.70 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* deoxyribose 143.09 142.55 -0.54 A_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* deoxyribose 155.86 155.80 -0.06 # _ndb_chem_link_tor.link_id deoxyribose_purine _ndb_chem_link_tor.id chi_anti_C3endo_purine _ndb_chem_link_tor.dbsearch_id C3endo_purine_anti _ndb_chem_link_tor.value_angle_calc 193.43 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta -0.13 # 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 acados ade 1 4.10 0.006-0.010A '3'-O-ACETYLADENOSINE' 'S.T.RAO,M.SUNDARALINGAM 1970, J.AM.CHEM.SOC., 92, 4963' adenos01 ade 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 ade 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 ade 2 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adprop ade 1 4.90 0.006-0.010A 3-(ADENIN-9-YL)-PROPIONAMIDE 'M.TAKIMOTO,A.TAKENAKA,Y.SASADA 1981, BULL.CHEM.SOC.JPN., 54, 1635' adypur10 ade 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 ade 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 ; amdoad ade 1 5.30 0.006-0.010A ;ALPHA-D-2'-AMINO-2'-DEOXYADENOSINE MONOHYDRATE ; 'D.C.ROHRER,M.SUNDARALINGAM 1970, J.AM.CHEM.SOC., 92, 4956' amoada ade 1 3.40 0.001-0.005A ;3'-AMINO-3'-DEOXYADENOSINE (ANTIBIOTIC AND ANTITUMOUR ACTIVITY) ; 'W.S.SHELDRICK,M.MORR 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 2328' amoadb ade 1 5.50 0.006-0.010A ;3'-CYCLOBUTYLAMINO-3'-DEOXYADENOSINE METHANOL SOLVATE (STRUCTURE RELATED TO THAT OF A NUCLEOSIDE ANTIBIOTIC AGENT) ; 'W.S.SHELDRICK,M.MORR 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 2328' amoadc ade 1 4.40 0.001-0.005A ;3'-(N-BENZYL-N-METHYLAMINO)-3'-DEOXYADENOSINE (STRUCTURE RELATED TO THAT OF A NUCLEOSIDE ANTIBIOTIC AGENT) ; 'W.S.SHELDRICK,M.MORR 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 2328' araden10 ade 1 3.20 0.001-0.005A '9-BETA-D-ARABINOFURANOSYL-ADENINE (FOR STEREOISOMER SEE ARFUAE)' 'G.BUNICK,D.VOET 1974, ACTA CRYSTALLOGR.,SECT.B, 30, 1651' bedlif ade 1 3.80 0.001-0.005A ;(1R-(1ALPHA,2ALPHA,3BETA))-3-(6-AMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)-4-CYCLOPENTENE-1,2-DIOL NEPLANOCIN A ; 'M.HAYASHI,S.YAGINUMA,H.YOSHIOKA,K.NAKATSU 1981, J.ANTIBIOT., 34, 675' betwus ade 1 5.50 0.006-0.010A ;3',6'-O-(1,1,3,3-TETRAISOPROPYL-DISILOXANE-1,3-DIYL)-NEPLANOCIN A (ANTITUMOUR AND ANTIBIOTIC DRUG.) ; ;M.YAMAZAKI,K.HAMADA,Y.YAMAGATA,T.FUJIWARA,K.-I.TOMITA,K.FUKUKAWA,T.UEDA,T.HIRANO 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 1176 ; betwus ade 2 5.50 0.006-0.010A ;3',6'-O-(1,1,3,3-TETRAISOPROPYL-DISILOXANE-1,3-DIYL)-NEPLANOCIN A (ANTITUMOUR AND ANTIBIOTIC DRUG.) ; ;M.YAMAZAKI,K.HAMADA,Y.YAMAGATA,T.FUJIWARA,K.-I.TOMITA,K.FUKUKAWA,T.UEDA,T.HIRANO 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 1176 ; boyduo ade 1 3.70 0.006-0.010A 'ADENIN-9-YL-ETHYLAMINE PHENYLACETIC ACID' 'T.ISHIDA,M.DOI,T.OKUNO,M.INOUE 1982, CHEM.PHARM.BULL., 30, 4249' buvpox ade 1 5.10 0.006-0.010A ;(C1'-R,C3'-R,C4'-R)-2'-DEOXY-3'-S-ETHYL-3'-THIOADENOSINE (ABSOLUTE CONFIGURATION) ; 'B.DIMKE,E.SCHLIMME,V.ZABEL,W.SAENGER 1983, LIEBIGS ANN.CHEM.,, 1409' bzapuc20 ade 1 5.80 0.006-0.010A 'BENZYL 6-AMINOPURINE-9-CARBOXYLIC ACID' ;T.SRIKRISHNAN,R.PARTHASARATHY,S.P.DUTTA,G.B.CHHEDA 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 2736 ; bzapuc20 ade 2 5.80 0.006-0.010A 'BENZYL 6-AMINOPURINE-9-CARBOXYLIC ACID' ;T.SRIKRISHNAN,R.PARTHASARATHY,S.P.DUTTA,G.B.CHHEDA 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 2736 ; cezbis ade 1 3.50 0.001-0.005A '2'-DEOXYADENOSINE' 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 880' cezmez ade 1 2.40 0.001-0.005A ;CALCIUM 2'-DEOXYADENOSINE-5'-PHOSPHATE PENTAHYDRATE ; 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 738' cidgur ade 1 4.50 0.001-0.005A ;2'(R)-MERCAPTO-2'-DEOXYNEPLANOCIN A ; ;K.KINOSHITA,M.HAYASHI,T.HIRANO,K.NAKATSU,K.FUKUKAWA,T.UEDA 1983, NUCLEOSIDES AND NUCLEOTIDES, 2, 319 ; coczid ade 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' cubrum ade 1 5.90 0.001-0.005A 3-(ADENIN-9-YL)-N-(2-SUCCINIMIDYL)-PROPIONAMIDE 'M.TAKIMOTO,A.TAKENAKA,Y.SASADA 1984, BULL.CHEM.SOC.JPN., 57, 3070' dadpnh10 ade 1 6.00 0.006-0.010A ;SODIUM DEOXYADENOSINE-5'-PHOSPHATE HEXAHYDRATE ; 'B.S.REDDY,M.A.VISWAMITRA 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 19' dhoads01 ade 1 4.30 0.001-0.005A '2',3'-DIDEHYDRO-2',3'-DIDEOXYADENOSINE' ;C.K.CHU,V.S.BHADTI,B.DOBOSZEWSKI,Z.P.GU,Y.KOSUGI,K.C.PULLAIAH,P.VAN ROEY 1989, J.ORG.CHEM., 54, 2217 ; dhoads10 ade 1 4.50 0.001-0.005A '2',3'-DIDEOXY-2',3'-DIDEHYDROADENOSINE' 'W.L.B.HUTCHEON,M.N.G.JAMES 1974, ACTA CRYSTALLOGR.,SECT.B, 30, 1777' dohgem ade 1 4.50 0.006-0.010A 9-(2-((4-IMIDAZOLYL)-METHYLTHIO)-ETHYL)-ADENINE ;M.TAKIMOTO-KAMIMURA,A.TAKENAKA,Y.SASADA,M.OHKI 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 601 ; dorjoj ade 1 4.80 0.006-0.010A '2',3',5'-TRI-O-ACETYLADENOSINE' ;C.C.WILSON,P.TOLLIN,R.A.HOWIE 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 697 ; duvheh10 ade 1 4.50 0.006-0.010A ;ADENOSINE-5'-MONONICOTINATE TRIHYDRATE ; ;N.RAMASUBBU,R.PARTHASARATHY 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 2140 ; eadpba ade 1 5.90 0.001-0.005A '9-ETHYLADENINE-PARABANIC ACID' 'H.-S.SHIEH,D.VOET 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2361' fabfuj01 ade 1 4.50 0.006-0.010A '9-(2-HYDROXYETHYL)ADENINE (FORM II)' ;A.TAKENAKA,M.SHIBATA,Y.SASADA 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 1336 ; fabfuj01 ade 2 4.50 0.006-0.010A '9-(2-HYDROXYETHYL)ADENINE (FORM II)' ;A.TAKENAKA,M.SHIBATA,Y.SASADA 1986, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 42, 1336 ; fibgec ade 1 4.50 0.001-0.005A ;9-(2-CHLORO-6-FLUOROBENZYL)ADENINE (ANTICOCCIDIOL ACTIVITY, AT 163 DEG.K) ARPRINOCID ; 'S.K.ARORA,S.B.LARSON 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 912' fikhai ade 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 ade 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' foylua ade 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 ; gahhig ade 1 3.20 0.001-0.005A ;2',3'-DIDEOXYADENOSINE (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 ; gahhig01 ade 1 4.30 0.001-0.005A ;2',3'-DIDEOXYADENOSINE (AT 165 DEG.K, AGENT OF POTENTIAL USE IN AIDS THERAPY) ; ;C.K.CHU,V.S.BHADTI,B.DOBOSZEWSKI,Z.P.GU,Y.KOSUGI,K.C.PULLAIAH,P.VAN ROEY 1989, J.ORG.CHEM., 54, 2217 ; hahkeg ade 1 3.60 0.001-0.005A '4-(ADENIN-9-YL)-1,6-ANHYDRO-4-DEOXY-BETA-D-GLUCOPYRANOSE DIHYDRATE' 'P.LUGER,E.RABIUS 1992, CARBOHYDR.RES., 233, 225' hifkem ade 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 ade 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 ; jahlaf ade 1 5.10 0.001-0.005A '5'(R)-C-VINYL-2',3'-O-ISOPROPYLIDENEADENOSINE' ;V.M.VRUDHULA,F.KAPPLER,C.AFSHAR,S.L.GINELL,L.LESSINGER,A.HAMPTON 1989, J.MED.CHEM., 32, 885 ; kemyeg ade 1 3.70 0.001-0.005A '1-(6-AMINO-9H-PURIN-9-YL)-1-DEOXY-N-ETHYL-BETA-D-RIBOFURANURONAMIDE MONOHYDRATE' ;W.H.MOOS,H.W.HAMILTON,D.F.ORTWINE,M.D.TAYLOR,A.T.MCPHAIL 1989, NUCLEOSIDES AND NUCLEOTIDES, 8, 449 ; kubguj ade 1 3.30 0.001-0.005A ;(2R,4R)-(4-(6'-AMINO-9'H-PURIN-9'-YL)TETRAHYDROFUR-2-YL)METHANOL (DEMONSTRATES ANTIVIRAL ACTIVITY AGAINST HIV-1 (RF STRAIN) IN VITRO, FOR STEREOISOMER SEE HEMYIH) ; ;M.F.JONES,S.A.NOBLE,C.A.ROBERTSON,R.STORER,R.M.HIGHCOCK,R.B.LAMONT 1992, J.CHEM.SOC.,PERKIN TRANS.1,, 1427 ; meaden01 ade 1 4.80 0.001-0.005A 9-METHYLADENINE 'T.J.KISTENMACHER,M.ROSSI 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 253' meaden02 ade 1 4.90 0.001-0.005A '9-METHYL-ADENINE (AT 126 DEG.K,NEUTRON STUDY)' 'R.K.MCMULLAN,P.BENCI,B.M.CRAVEN 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1424' naamph10 ade 1 3.70 0.001-0.005A ;SODIUM ADENOSINE-(3'-5')-CYCLIC-MONOPHOSPHATE TETRAHYDRATE (MONOCLINIC FORM) ; 'K.I.VARUGHESE,C.T.LU,G.KARTHA 1982, J.AM.CHEM.SOC., 104, 3398' naamph10 ade 2 3.70 0.001-0.005A ;SODIUM ADENOSINE-(3'-5')-CYCLIC-MONOPHOSPHATE TETRAHYDRATE (MONOCLINIC FORM) ; 'K.I.VARUGHESE,C.T.LU,G.KARTHA 1982, J.AM.CHEM.SOC., 104, 3398' naglai ade 1 5.70 0.006-0.010A 'N-9--((2'-DEOXY-BETA-D-RIBO-PENTOFURANOSYL)METHYL)ADENINE' ;N.HOSSAIN,N.BLATON,O.PEETERS,J.ROZENSKI,P.A.HERDEWIJN 1996, TETRAHEDRON, 52, 5563 ; nakzuu ade 1 4.42 0.006-0.010A ;(1R,2S,4S,5S)-1-HYDROXYMETHYL-2-HYDROXY-4-(6-AMINO-9-PURINYL)BICYCLO(3.1.0)HEXANE DIHYDRATE (IN VITRO ANTIVIRAL ACTIVITY, AT 223 DEG.K) ; ;M.A.SIDDIQUI,H.FORD JUNIOR,C.GEORGE,V.E.MARQUEZ 1996, NUCLEOSIDES AND NUCLEOTIDES, 15, 235 ; nakzuu ade 2 4.42 0.006-0.010A ;(1R,2S,4S,5S)-1-HYDROXYMETHYL-2-HYDROXY-4-(6-AMINO-9-PURINYL)BICYCLO(3.1.0)HEXANE DIHYDRATE (IN VITRO ANTIVIRAL ACTIVITY, AT 223 DEG.K) ; ;M.A.SIDDIQUI,H.FORD JUNIOR,C.GEORGE,V.E.MARQUEZ 1996, NUCLEOSIDES AND NUCLEOTIDES, 15, 235 ; opadna ade 1 2.60 0.001-0.005A '(S)-9-(2,3-DIHYDROXYPROPYL)-ADENINE (FOR RACEMATE SEE OPADNB)' 'G.S.D.KING,L.SENGIER 1981, J.CHEM.RES., 121, 1501' opadna01 ade 1 4.20 0.001-0.005A '(S)-9-(2,3-DIHYDROXYPROPYL)-ADENINE (FOR RACEMATE SEE OPADNB)' ;G.V.GURSKAYA,G.M.DZHAVADOVA,D.G.VASIL'EV,T.L.TSILEVICH,S.G.ZAVGORODNII,V.L.FLORENT'EV 1984, BIOORG.KHIM., 10, 1414 ; opadnb ade 1 6.00 0.001-0.005A '(RS)-9-(2,3-DIHYDROXYPROPYL)-ADENINE (FOR STEREOISOMER (S) SEE OPADNA)' 'G.S.D.KING,L.SENGIER 1981, J.CHEM.RES., 121, 1501' pakwon ade 1 2.80 0.001-0.005A '9-(2',3'-DIDEOXY-BETA-D-GLUCOPYRANOSYL)ADENINE' ;M.BOHRINGER,H.-J.ROTH,J.HUNZIKER,M.GOBEL,R.KRISHNAN,A.GIGER,B.SCHWEIZER,J.SCHREIBER,C.LEUMANN,A.ESCHENMOSER 1992, HELV.CHIM.ACTA, 75, 1416 ; pextan ade 1 4.30 0.006-0.010A ;2'-O-METHYL-CIS-ADENOSINE-3',5'-CYCLIC-METHYL-MONOPHOSPHATE METHANOL SOLVATE ; ;N.L.H.L.BROEDERS,A.P.VAN DER HEIDEN,L.H.KOOLE,J.A.KANTERS,A.SCHOUTEN 1993, CAN.J.CHEM., 71, 855 ; pivsui ade 1 3.40 0.001-0.005A 9-(3-DEOXY-ALPHA-D-ERYTHRO-2-HEXULOFURANOSYL)ADENINE ;A.AZHAYEV,A.GUZAEV,J.HOVINEN,J.MATTINEN,R.SILLANPAA,H.LONNBERG 1994, SYNTHESIS,, 396 ; vavtob ade 1 4.50 0.001-0.005A 9-VINYLADENINE ;D.SCHARFENBERG-PFEIFFER,R.-G.KRETSCHMER,S.HOFFMANN 1988, CRYST.RES.AND TECHNOL., 23, 881 ; vavtob ade 2 4.50 0.001-0.005A 9-VINYLADENINE ;D.SCHARFENBERG-PFEIFFER,R.-G.KRETSCHMER,S.HOFFMANN 1988, CRYST.RES.AND TECHNOL., 23, 881 ; vomfos ade 1 4.10 0.001-0.005A '2',3'-O-ANHYDROADENOSINE' ;L.H.KOOLE,S.NEIDLE,M.D.CRAWFORD,A.A.KRAYEVSKI,G.V.GURSKAYA,A.SANDSTROM,JIN-CHANG WU,WEIMIN TONG,J.CHATTOPADHYAYA 1991, J.ORG.CHEM., 56, 6884 ; vomfos ade 2 4.10 0.001-0.005A '2',3'-O-ANHYDROADENOSINE' ;L.H.KOOLE,S.NEIDLE,M.D.CRAWFORD,A.A.KRAYEVSKI,G.V.GURSKAYA,A.SANDSTROM,JIN-CHANG WU,WEIMIN TONG,J.CHATTOPADHYAYA 1991, J.ORG.CHEM., 56, 6884 ; wajzem ade 1 4.10 0.006-0.010A ALPHA-(9-ADENINYLMETHYL)BUTYROLACTONE ;A.K.DAS,M.DATTA,S.K.MAZUMDAR,N.DAS,S.K.TALAPATRA,P.SCHEINER,G.BOCELLI 1993, J.CRYSTALLOGR.SPECTROSC.RES., 23, 247 ; wibxek ade 1 3.18 0.001-0.005A ;ETHYL 9-(6-AMINO-(IMIDAZO(5,4-D)PYRIMIDINE))-ACETATE (AT 122 DEG.K) ETHYL ADENIN-9-YLACETATE ; 'C.FLENSBURG,M.EGHOLM 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1480' wipwex ade 1 2.68 0.001-0.005A ;(2',3'-DIDEOXY-BETA-D-GLYCERO-PENT-2'-ENOPYRANOSYL)ADENINE MONOHYDRATE ; 'B.DOBOSZEWSKI,N.BLATON,P.HERDEWIJN 1995, J.ORG.CHEM., 60, 7909' wipwex ade 2 2.68 0.001-0.005A ;(2',3'-DIDEOXY-BETA-D-GLYCERO-PENT-2'-ENOPYRANOSYL)ADENINE MONOHYDRATE ; 'B.DOBOSZEWSKI,N.BLATON,P.HERDEWIJN 1995, J.ORG.CHEM., 60, 7909' yabgaj ade 1 5.60 0.006-0.010A 'NEPLANOCIN F MONOHYDRATE' 'M.BODENTEICH,V.E.MARQUEZ,W.H.HALLOWS,B.M.GOLDSTEIN 1992, J.ORG.CHEM., 57, 2071' zevtid ade 1 5.10 0.006-0.010A ;2'-DEOXY-2'-(3-METHOXYBENZAMIDO)ADENOSINE (GAPDH INHIBITORY ACTIVITY) ; ;S.VAN CALENBERGH,C.L.M.J.VERLINDE,J.SOENENS,A.DE BRUYN,M.CALLENS,N.M.BLATON,O.M.PEETERS,J.ROZENSKI,W.G.J.HOL,P.HERDEWIJN 1995, J.MED.CHEM., 38, 3838 ; zevtid ade 2 5.10 0.006-0.010A ;2'-DEOXY-2'-(3-METHOXYBENZAMIDO)ADENOSINE (GAPDH INHIBITORY ACTIVITY) ; ;S.VAN CALENBERGH,C.L.M.J.VERLINDE,J.SOENENS,A.DE BRUYN,M.CALLENS,N.M.BLATON,O.M.PEETERS,J.ROZENSKI,W.G.J.HOL,P.HERDEWIJN 1995, J.MED.CHEM., 38, 3838 ; 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 . . . . . . all_ribose_purine . . . . . . all_ribose_purine . . . . . . 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 . . . . . #