PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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7JNX	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide 分子名称: 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.286 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JO0	Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide 分子名称: Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.607 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JNT	CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ... 著者 Muckelbauer, J.K. 登録日 2020-08-05 公開日 2020-09-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.214 Å) 主引用文献 Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
7JVK	Structure of the M101A variant of the SidA ornithine hydroxylase with the FAD in the "out" conformation 分子名称: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Tanner, J.J, Campbell, A.C. 登録日 2020-08-21 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Determinants of Flavin Dynamics in a Class B Monooxygenase. Biochemistry, 59, 2020
7K8P	Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C110 分子名称: C110 Fab Heavy Chain, C110 Fab Light Chain 著者 Dam, K.A, Barnes, C.O, Bjorkman, P.J. 登録日 2020-09-27 公開日 2020-10-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
7K95	Crystal structure of human CPSF30 in complex with hFip1 分子名称: Isoform 2 of Cleavage and polyadenylation specificity factor subunit 4, Pre-mRNA 3'-end-processing factor FIP1, ZINC ION 著者 Hamilton, K, Tong, L. 登録日 2020-09-28 公開日 2020-11-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular mechanism for the interaction between human CPSF30 and hFip1. Genes Dev., 34, 2020
7K6X	Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide 分子名称: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, Singh, S, McKenna, R. 登録日 2020-09-21 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
7K9R	Cryptococcus neoformans Hsp90 nucleotide binding domain 分子名称: CHLORIDE ION, Hsp90-like protein 著者 Kuntz, D.A, Kenney, T, Prive, G.G. 登録日 2020-09-29 公開日 2021-01-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity. J.Med.Chem., 64, 2021
7KBY	Artificial Metalloproteins with Dinuclear Iron Centers 分子名称: ACETATE ION, CYANIDE ION, Streptavidin, ... 著者 Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. 登録日 2020-10-03 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
7JO1	Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JOB	Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-06 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.381 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JOV	CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ... 著者 Muckelbauer, J.K. 登録日 2020-08-07 公開日 2020-09-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.586 Å) 主引用文献 Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorg.Med.Chem.Lett., 30, 2020
7KBT	Factor VIII in complex with the anti-C2 domain antibody, G99 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, CALCIUM ION, ... 著者 Ronayne, E.K, Gish, J, Wilson, C, Peters, S, Spencer, H.T, Spiegel, P.C, Childers, K.C. 登録日 2020-10-02 公開日 2020-11-18 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (4.15 Å) 主引用文献 Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor Front Immunol, 12, 2021
7JTL	Structure of SARS-CoV-2 ORF8 accessory protein 分子名称: ORF8 protein, SODIUM ION 著者 Flower, T.G, Buffalo, C.Z, Hooy, R.M, Allaire, M, Ren, X, Hurley, J.H. 登録日 2020-08-18 公開日 2020-08-26 最終更新日 2021-02-10 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Structure of SARS-CoV-2 ORF8, a rapidly evolving immune evasion protein. Proc.Natl.Acad.Sci.USA, 118, 2021
7JTM	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST 分子名称: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid 著者 Sack, J.S. 登録日 2020-08-18 公開日 2020-09-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020
7K5E	1.75 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor JAG-5-7 分子名称: 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... 著者 Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. 登録日 2020-09-16 公開日 2020-12-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Acs Infect Dis., 7, 2021
7JUB	C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with methyl-mannoside 分子名称: CALCIUM ION, Macrophage mannose receptor 1, methyl alpha-D-mannopyranoside 著者 Weis, W.I, Feinberg, H. 登録日 2020-08-19 公開日 2021-02-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206. J.Biol.Chem., 296, 2021
7JUF	C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Man-alpha1-2Man 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Macrophage mannose receptor 1, ... 著者 Weis, W.I, Feinberg, H. 登録日 2020-08-19 公開日 2021-02-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206. J.Biol.Chem., 296, 2021
7K6K	Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide 分子名称: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, Singh, S, McKenna, R. 登録日 2020-09-20 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.306 Å) 主引用文献 Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
7K4U	Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase 著者 Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. 登録日 2020-09-16 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
7K6T	Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide 分子名称: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Singh, S, McKenna, R. 登録日 2020-09-21 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.759 Å) 主引用文献 Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
7JVL	Structure of the M101A variant of the SidA ornithine hydroxylase complexed with NADP and the FAD in the "out" conformation 分子名称: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Tanner, J.J, Campbell, A.C. 登録日 2020-08-21 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Determinants of Flavin Dynamics in a Class B Monooxygenase. Biochemistry, 59, 2020
7JOY	Product structure of SARS-CoV-2 Mpro C145A mutant in complex with its C-terminal autoprocessing sequence. 分子名称: 3C-like proteinase 著者 Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J. 登録日 2020-08-07 公開日 2020-10-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site. Nat Commun, 11, 2020
7JZJ	Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer 分子名称: Matrix protein VP40, PENTAETHYLENE GLYCOL 著者 Norris, M.J, Bornholdt, Z.A, Saphire, E.O. 登録日 2020-09-02 公開日 2020-10-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers. Elife, 9, 2020
7K3T	Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION 著者 Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. 登録日 2020-09-13 公開日 2020-09-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022

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