PDB: 242842 件ウェブページステータス検索Chemie searchBIRD

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5QJO	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z57292369 分子名称: 1,2-ETHANEDIOL, 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide, ADP-sugar pyrophosphatase, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QK6	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1343633025 分子名称: 1,2-ETHANEDIOL, 2-fluoro-4-methylbenzamide, ADP-sugar pyrophosphatase, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
1MW3	Amylosucrase soaked with 1M sucrose 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose 著者 Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. 登録日 2002-09-27 公開日 2002-12-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
4OWO	Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 6-fluoroanthranilate, PRPP and Magnesium 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-6-fluoranyl-benzoic acid, Anthranilate phosphoribosyltransferase, ... 著者 Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S. 登録日 2014-02-02 公開日 2014-04-23 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis. Biochem.J., 461, 2014
4JXE	Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMSH-like protease sst2, ... 著者 Shrestha, R.K, Das, C. 登録日 2013-03-28 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.451 Å) 主引用文献 Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product. Biochemistry, 53, 2014
2DKM	Solution structures of the fn3 domain of human collagen alpha-1(XX) chain 分子名称: Collagen alpha-1(XX) chain 著者 Sato, M, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2006-04-12 公開日 2006-10-12 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structures of the fn3 domain of human collagen alpha-1(XX) chain To be Published
7HIO	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188499-02 (CHIKV_MacB-x2344) 分子名称: 1-({5-[(4-iodophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 著者 Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. 登録日 2024-10-04 公開日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
7HIV	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188495-02 (CHIKV_MacB-x2431) 分子名称: 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 著者 Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F. 登録日 2024-10-04 公開日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published
1MTW	FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN 分子名称: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, TRYPSIN 著者 Stubbs, M.T. 登録日 1997-05-16 公開日 1997-11-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
4OOM	Crystal structure of PBP3 in complex with BAL30072 ((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide) 分子名称: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide, Cell division protein FtsI [Peptidoglycan synthetase] 著者 Han, S, Caspers, N, Knafels, J.D. 登録日 2014-02-03 公開日 2014-05-07 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
3VW8	Crystal structure of human c-Met kinase domain with its inhibitor 分子名称: CHLORIDE ION, Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide 著者 Matsumoto, S, Miyamoto, N, Hirayama, T, Oki, H, Okada, K, Tawada, M, Iwata, H, Miki, H, Nakamura, K, Hori, A, Imamura, S. 登録日 2012-08-08 公開日 2013-08-14 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors. Bioorg.Med.Chem., 21, 2013
2Q3T	Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g22680 分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Protein At3g22680, ... 著者 Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) 登録日 2007-05-30 公開日 2007-06-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Ensemble refinement of protein crystal structures: validation and application. Structure, 15, 2007
6I2K	Structure of EV71 complexed with its receptor SCARB2 分子名称: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 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 Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I. 登録日 2018-11-01 公開日 2018-11-28 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2. Nat Microbiol, 4, 2019
3VZL	Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant 分子名称: Endo-1,4-beta-xylanase, SULFATE ION 著者 Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. 登録日 2012-10-15 公開日 2013-05-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase Biochemistry, 52, 2013
4OWU	Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-methylanthranilate, PRPP and Magnesium 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-5-methyl-benzoic acid, Anthranilate phosphoribosyltransferase, ... 著者 Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S. 登録日 2014-02-03 公開日 2014-04-23 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis. Biochem.J., 461, 2014
4O6L	Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) 分子名称: Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide 著者 Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. 登録日 2013-12-22 公開日 2014-12-24 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Crystal Structure of TTK kinase domain with an inhibitor: 401498 TO BE PUBLISHED
3QUF	The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis 分子名称: ACETIC ACID, Extracellular solute-binding protein, family 1, ... 著者 Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2011-02-23 公開日 2011-05-04 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis TO BE PUBLISHED
2A9W	E. coli TS complexed with dUMP and inhibitor GA9 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... 著者 Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. 登録日 2005-07-12 公開日 2005-10-11 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
4O7U	Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... 著者 Mangani, S, Pozzi, C. 登録日 2013-12-26 公開日 2014-12-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors. Eur.J.Med.Chem., 123, 2016
5QJJ	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z24758179 分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QJY	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z94597856 分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
3FI2	Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 分子名称: 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 著者 Habel, J.E. 登録日 2008-12-10 公開日 2009-03-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
5QOT	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1592710382 分子名称: 1,2-ETHANEDIOL, 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide, ACETATE ION, ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QP8	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QJV	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060 分子名称: 1,2-ETHANEDIOL, 4-methoxy-N-methylpyrimidin-2-amine, ADP-sugar pyrophosphatase, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published

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