PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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7G5M	Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(3aR,8aS)-2-(1,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)OC(F)(F)F)CN(C2)C(=O)N1CCC2=C(C1)N=NN2 with IC50=0.0280543 microM 分子名称: (2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Stihle, M, Benz, J, Hunziker, D, Mattei, P, Rudolph, M.G. 登録日 2023-06-05 公開日 2024-12-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of a rat Autotaxin complex To be published
3PR0	Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase 分子名称: 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. 登録日 2010-11-29 公開日 2011-11-16 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133, 2011
3VD9	E. coli (lacZ) beta-galactosidase (N460S) in complex with IPTG 分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. 登録日 2012-01-04 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
4I3N	Crystal structure of rabbit ryanodine receptor 1 (residues 1-536) disease mutant D61N 分子名称: GLYCEROL, Ryanodine receptor 1 著者 Kimlicka, L, Van Petegem, F. 登録日 2012-11-26 公開日 2013-02-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Disease mutations in the ryanodine receptor N-terminal region couple to a mobile intersubunit interface. Nat Commun, 4, 2013
3VDC	E. coli (lacZ) beta-galactosidase (N460T) in complex with IPTG 分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... 著者 Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. 登録日 2012-01-04 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
1IEV	CRYSTAL STRUCTURE OF BARLEY BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1 IN COMPLEX WITH CYCLOHEXITOL 分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Hrmova, M, DeGori, R, Fincher, G.B, Varghese, J.N. 登録日 2001-04-11 公開日 2001-11-14 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Catalytic mechanisms and reaction intermediates along the hydrolytic pathway of a plant beta-D-glucan glucohydrolase. Structure, 9, 2001
1J0J	Crystal structure of neopullulanase E357Q complex with maltotetraose 分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, neopullulanase 著者 Hondoh, H, Kuriki, T, Matsuura, Y. 登録日 2002-11-14 公開日 2003-01-28 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Three-dimensional structure and substrate binding of Bacillus stearothermophilus neopullulanase J.Mol.Biol., 326, 2003
3QWJ	CDK2 in complex with inhibitor KVR-1-142 分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-02-28 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3QX4	CDK2 in complex with inhibitor KVR-1-78 分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-01 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3QX2	CDK2 in complex with inhibitor KVR-1-190 分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-01 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3QZI	CDK2 in complex with inhibitor KVR-1-126 分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-06 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
1UKC	Crystal Structure of Aspergillus niger EstA 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Bourne, Y, Hasper, A.A, Chahinian, H, Juin, M, De Graaff, L.H, Marchot, P. 登録日 2003-08-19 公開日 2004-07-27 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Aspergillus niger protein EstA defines a new class of fungal esterases within the alpha/beta hydrolase fold superfamily of proteins STRUCTURE, 12, 2004
3QXO	CDK2 in complex with inhibitor KVR-1-84 分子名称: 1,2-ETHANEDIOL, 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-02 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3VHV	Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist 分子名称: 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... 著者 Sogabe, S, Habuka, N. 登録日 2011-09-07 公開日 2011-12-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists J.Med.Chem., 54, 2011
2OVG	Lambda Cro Q27P/A29S/K32Q triple mutant at 1.35 A in space group P3221 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Phage lambda Cro, SULFATE ION 著者 Hall, B.M, Heroux, A, Roberts, S.A, Cordes, M.H. 登録日 2007-02-13 公開日 2008-01-08 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Two structures of a lambda Cro variant highlight dimer flexibility but disfavor major dimer distortions upon specific binding of cognate DNA. J.Mol.Biol., 375, 2008
2AC1	Crystal structure of a cell-wall invertase from Arabidopsis thaliana 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... 著者 Verhaest, M, Le Roy, K, De Ranter, C, Van Laere, A, Van den Ende, W, Rabijns, A. 登録日 2005-07-18 公開日 2006-08-29 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 X-ray diffraction structure of a cell-wall invertase from Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 62, 2006
2ACH	CRYSTAL STRUCTURE OF CLEAVED HUMAN ALPHA1-ANTICHYMOTRYPSIN AT 2.7 ANGSTROMS RESOLUTION AND ITS COMPARISON WITH OTHER SERPINS 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTICHYMOTRYPSIN, PHOSPHATE ION, ... 著者 Baumann, U, Huber, R, Bode, W, Grosse, D, Lesjak, M, Laurell, C.B. 登録日 1993-04-26 公開日 1993-07-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of cleaved human alpha 1-antichymotrypsin at 2.7 A resolution and its comparison with other serpins. J.Mol.Biol., 218, 1991
3QZH	CDK2 in complex with inhibitor KVR-1-124 分子名称: 1,2-ETHANEDIOL, 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-06 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R6X	CDK2 in complex with inhibitor KVR-1-158 分子名称: 1,2-ETHANEDIOL, 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-22 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R7U	CDK2 in complex with inhibitor KVR-1-75 分子名称: 1,2-ETHANEDIOL, 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-23 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R7V	CDK2 in complex with inhibitor KVR-1-9 分子名称: 1,2-ETHANEDIOL, 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-23 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3R71	CDK2 in complex with inhibitor KVR-1-162 分子名称: 1,2-ETHANEDIOL, 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-22 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
3RPO	CDK2 in complex with inhibitor KVR-1-156 分子名称: 1,2-ETHANEDIOL, 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-04-27 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
2DV9	Crystal structure of peanut lectin GAL-BETA-1,3-GAL complex 分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... 著者 Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. 登録日 2006-07-30 公開日 2006-11-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
3RM7	CDK2 in complex with inhibitor KVR-1-91 分子名称: 1,2-ETHANEDIOL, 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-04-20 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published

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