PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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3S45	wild-type HIV-2 protease with antiviral drug amprenavir 分子名称: CHLORIDE ION, IMIDAZOLE, Protease, ... 著者 Tie, Y.-F, Wang, Y.-F, Weber, I.T. 登録日 2011-05-18 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
3S2A	Crystal structure of PI3K-gamma in complex with a quinoline inhibitor 分子名称: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION 著者 Whittington, D.A, Tang, J, Yakowec, P. 登録日 2011-05-16 公開日 2011-06-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
3S0J	The crystal structure of glycogen phosphorylase b in complex with 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene 分子名称: (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form 著者 Alexacou, K.-M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G, Leonidas, D.D. 登録日 2011-05-13 公開日 2011-08-31 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Halogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase. Bioorg.Med.Chem., 19, 2011
3SW4	Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor 分子名称: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine 著者 Kang, Y.N, Stuckey, J.A. 登録日 2011-07-13 公開日 2012-08-01 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor To be Published
3RNN	Crystal Structure of iGluR2 Ligand Binding Domain with Symmetric Sulfonamide Containing Potentiator 分子名称: GLUTAMIC ACID, Glutamate receptor 2, N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide, ... 著者 Timm, D.E. 登録日 2011-04-22 公開日 2011-05-25 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation. Mol.Pharmacol., 80, 2011
1CDG	NUCLEOTIDE SEQUENCE AND X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 IN A MALTOSE-DEPENDENT CRYSTAL FORM 分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Lawson, C.L, Van Montfort, R, Strokopytov, B.V, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. 登録日 1993-08-02 公開日 1994-01-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Nucleotide sequence and X-ray structure of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 in a maltose-dependent crystal form. J.Mol.Biol., 236, 1994
3QKL	Spirochromane Akt Inhibitors 分子名称: GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase 著者 Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. 登録日 2011-02-01 公開日 2011-03-30 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
8AY7	X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-HAB1 TERNARY COMPLEX 分子名称: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ... 著者 Infantes, L, Albert, A. 登録日 2022-09-02 公開日 2023-03-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.131 Å) 主引用文献 Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
3RN8	Crystal Structure of iGluR2 Ligand Binding Domain and Symmetrical Carboxyl Containing Potentiator 分子名称: 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid), ACETATE ION, GLUTAMIC ACID, ... 著者 Timm, D.E. 登録日 2011-04-22 公開日 2011-05-25 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation. Mol.Pharmacol., 80, 2011
3T7R	Crystal structure of apo BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482 分子名称: 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol, Putative methyltransferase 著者 Kumar, V, Sivaraman, J. 登録日 2011-07-31 公開日 2011-10-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural characterization of BVU_3255, a methyltransferase from human intestine antibiotic resistant pathogen Bacteroides vulgatus J.Struct.Biol., 2011
3SW7	Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor 分子名称: Cyclin-dependent kinase 2, N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine 著者 Kang, Y.N, Stuckey, J.A. 登録日 2011-07-13 公開日 2012-08-01 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor To be Published
1IUN	meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant hexagonal 分子名称: ACETATE ION, meta-Cleavage product hydrolase 著者 Fushinobu, S, Saku, T, Hidaka, M, Jun, S.-Y, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. 登録日 2002-03-06 公開日 2002-09-18 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with cleavage products PROTEIN SCI., 11, 2002
3TYE	Dihydropteroate Synthase in complex with DHP-STZ 分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ... 著者 Yun, M.-K, White, S.W. 登録日 2011-09-24 公開日 2012-03-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Catalysis and sulfa drug resistance in dihydropteroate synthase. Science, 335, 2012
3U18	Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor 分子名称: 1,2-ETHANEDIOL, 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid), GLYCEROL, ... 著者 Asojo, O.A. 登録日 2011-09-29 公開日 2012-07-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Novel Allosteric Inhibitor of Macrophage Migration Inhibitory Factor (MIF). J.Biol.Chem., 287, 2012
1IUO	meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant complexed with acetates 分子名称: ACETATE ION, meta-Cleavage product hydrolase 著者 Fushinobu, S, Saku, T, Hidaka, M, Jun, S.-Y, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. 登録日 2002-03-06 公開日 2002-09-18 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with cleavage products PROTEIN SCI., 11, 2002
5RTX	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873 分子名称: 3,5-dichlorobenzene-1-sulfonamide, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
2CXG	CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE 分子名称: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... 著者 Strokopytov, B.V, Uitdehaag, J.C.M, Ruiterkamp, R, Dijkstra, B.W. 登録日 1998-05-08 公開日 1998-10-14 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 X-ray structure of cyclodextrin glycosyltransferase complexed with acarbose. Implications for the catalytic mechanism of glycosidases. Biochemistry, 34, 1995
5RM4	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606 分子名称: 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
8BGI	GABA-A receptor a5 homomer - a5V1 - Flumazenil 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, Pregnanolone, ... 著者 Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R. 登録日 2022-10-27 公開日 2023-11-08 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
8BOE	Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide 分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-11-15 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy. J.Med.Chem., 66, 2023
5RGL	PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705) 分子名称: 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-04-07 公開日 2020-04-15 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
8HFM	Crystal Structure of Mycobacterium smegmatis MshC 分子名称: CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION 著者 Pang, L, Weeks, S.D, Strelkov, S.V. 登録日 2022-11-11 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
5SDB	Crystal Structure of Human DHFR complexed with NADP and N10-formyl-tetrahydrofolate 分子名称: 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-20 公開日 2022-02-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal Structure of Human DHFR complexed with NADP and N10-formyl-tetrahydrofolate to be published
5SLG	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357 分子名称: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... 著者 Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. 登録日 2022-03-03 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5SLI	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1003146540 分子名称: 2-(difluoromethoxy)benzene-1-sulfonamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... 著者 Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. 登録日 2022-03-03 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 PanDDA analysis group deposition To Be Published

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