PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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5E2M	Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2015-10-01 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
4Q30	Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5 分子名称: 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, Glutamate receptor 2 CHIMERIC PROTEIN, ZINC ION 著者 Ahmed, A.H, Oswald, R.E. 登録日 2014-04-10 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Thermodynamics and mechanism of the interaction of willardiine partial agonists with a glutamate receptor: implications for drug development. Biochemistry, 53, 2014
8AHC	Crystal structure of the BRD9 bromodomain with BI-7189 分子名称: Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium 著者 Bader, G, Boettcher, J, Weiss-Puxbaum, A. 登録日 2022-07-21 公開日 2023-06-21 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.504 Å) 主引用文献 Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
4XZN	Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. 登録日 2015-02-04 公開日 2015-11-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
4XZL	Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. 登録日 2015-02-04 公開日 2015-11-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
4XZM	Crystal structure of the methylated wild-type AKR1B10 holoenzyme 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. 登録日 2015-02-04 公開日 2015-11-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
6VNQ	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor 分子名称: 1,2-ETHANEDIOL, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-01-29 公開日 2020-05-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors. Chemmedchem, 15, 2020
2ADO	Crystal Structure Of The Brct Repeat Region From The Mediator of DNA damage checkpoint protein 1, MDC1 分子名称: Mediator of DNA damage checkpoint protein 1 著者 Lee, M.S, Edwards, R.A, Thede, G.L, Glover, J.N. 登録日 2005-07-20 公開日 2005-08-02 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structure of the BRCT Repeat Domain of MDC1 and Its Specificity for the Free COOH-terminal End of the {gamma}-H2AX Histone Tail. J.Biol.Chem., 280, 2005
4OYO	Human solAC Complexed with 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole 分子名称: 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL 著者 Vinkovic, M. 登録日 2014-02-12 公開日 2014-04-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
4OZ3	Human solAC Complexed with 4-phenyl-3-(trifluoromethyl)-1H-pyrazole 分子名称: 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL 著者 Vinkovic, M. 登録日 2014-02-13 公開日 2014-04-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
4OYB	Crystal Structure Analysis of the solAC 分子名称: Adenylate cyclase type 10, GLYCEROL, ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate 著者 Vinkovic, M. 登録日 2014-02-11 公開日 2014-04-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
4OYP	Human solAC Complexed with 1-Benzofuran-2-carboxylic acid 分子名称: 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION 著者 Vinkovic, M. 登録日 2014-02-12 公開日 2014-04-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
4OZ2	Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole 分子名称: 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ... 著者 Vinkovic, M. 登録日 2014-02-13 公開日 2014-04-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
4P90	Crystal structure of the kinase domain of human PAK1 in complex with compound 15 分子名称: Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone 著者 Ferguson, A.D. 登録日 2014-04-01 公開日 2014-09-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity. MEDCHEMCOMM, 2014
2ZN7	CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes 分子名称: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 著者 Xu, W, Wu, J. 登録日 2008-04-22 公開日 2008-10-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
2MOF	Structural insights of TM domain of LAMP-2A in DPC micelles 分子名称: Lysosome-associated membrane glycoprotein 2 著者 Tjandra, N, Rout, A. 登録日 2014-04-25 公開日 2014-10-29 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structure of Transmembrane Domain of Lysosome-associated Membrane Protein Type 2a (LAMP-2A) Reveals Key Features for Substrate Specificity in Chaperone-mediated Autophagy. J.Biol.Chem., 289, 2014
2MOM	Structural insights of TM domain of LAMP-2A in DPC micelles 分子名称: Lysosome-associated membrane glycoprotein 2 著者 Tjandra, N, Rout, A. 登録日 2014-04-27 公開日 2014-10-29 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structure of Transmembrane Domain of Lysosome-associated Membrane Protein Type 2a (LAMP-2A) Reveals Key Features for Substrate Specificity in Chaperone-mediated Autophagy. J.Biol.Chem., 289, 2014
1ZGA	Crystal structure of isoflavanone 4'-O-methyltransferase complexed with (+)-6a-hydroxymaackiain 分子名称: (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL, Isoflavanone 4'-O-methyltransferase', S-ADENOSYL-L-HOMOCYSTEINE 著者 Liu, C.-J, Deavours, B.E, Richard, S, Ferrer, J.-L, Dixon, R.A, Noel, J.P. 登録日 2005-04-20 公開日 2006-08-01 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural basis for dual functionality of isoflavonoid O-methyltransferases in the evolution of plant defense responses. Plant Cell, 18, 2006
2ZMM	Crystal structure of PTP1B-inhibitor complex 分子名称: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... 著者 Xu, W, Wu, J. 登録日 2008-04-19 公開日 2008-10-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
5UA4	Crystal structure of A179L:Bid BH3 complex 分子名称: 5-HL, BH3-interacting domain death agonist 著者 Banjara, S, Caria, S, Kvansakul, M. 登録日 2016-12-18 公開日 2017-01-04 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis. J. Virol., 91, 2017
5UA5	Crystal structure of A179L:Bid BH3 complex 分子名称: 5-HL, Uncharacterized protein 著者 Banjara, S, Caria, S, Kvansakul, M. 登録日 2016-12-19 公開日 2017-01-04 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis. J. Virol., 91, 2017
5WOS	Structural and functional insights into Canarypox Virus CNP058 regulation of apoptosis 分子名称: Bcl-2-like protein 11, CNPV058 bcl-2 like protein 著者 Anasir, M.I, Kvansakul, M. 登録日 2017-08-02 公開日 2017-11-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structural and Functional Insight into Canarypox Virus CNP058 Mediated Regulation of Apoptosis. Viruses, 9, 2017
4YIH	Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU 分子名称: 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ... 著者 Pachl, P, Rezacova, P, Brynda, J. 登録日 2015-03-02 公開日 2015-09-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
5Z9E	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-02 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9N	S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine 分子名称: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018

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