PDB: 215264 件ウェブページステータス検索Chemie searchBIRD

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2G1Y	Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin 著者 Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. 登録日 2006-02-15 公開日 2006-06-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
2QHN	Crystal Structure of Chek1 in Complex with Inhibitor 1a 分子名称: 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 著者 Yan, Y, Munshi, S. 登録日 2007-07-02 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
2FWH	atomic resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form at pH7) 分子名称: DI(HYDROXYETHYL)ETHER, IODIDE ION, Thiol:disulfide interchange protein dsbD 著者 Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. 登録日 2006-02-02 公開日 2006-06-13 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
2FWF	high resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form) 分子名称: IODIDE ION, SODIUM ION, Thiol:disulfide interchange protein dsbD 著者 Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. 登録日 2006-02-02 公開日 2006-06-13 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
2G1O	Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE, Renin 著者 Holsworth, D.D, Zhanga, E. 登録日 2006-02-14 公開日 2006-06-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
2G26	Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring 分子名称: (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin 著者 Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. 登録日 2006-02-15 公開日 2006-06-13 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
2G27	Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring 分子名称: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin 著者 Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. 登録日 2006-02-15 公開日 2006-06-13 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
5OVC	PDZ domain from rat Shank3 bound to the C terminus of GKAP 分子名称: CHLORIDE ION, GKAP C terminus, synthetic peptide, ... 著者 Ponna, S.K, Myllykoski, M, Boeckers, T.M, Kursula, P. 登録日 2017-08-28 公開日 2018-03-07 最終更新日 2018-07-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural basis for PDZ domain interactions in the post-synaptic density scaffolding protein Shank3. J. Neurochem., 145, 2018
3VW7	Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ... 著者 Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K. 登録日 2012-08-07 公開日 2012-12-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 High-resolution crystal structure of human protease-activated receptor 1 Nature, 492, 2012
4E3B	Crystal structure of Tax-Interacting Protein-1 (TIP-1) PDZ domain bound to iCAL36-L (ANSRWPTSIL) peptide 分子名称: Tax1-binding protein 3, iCAL50 peptide 著者 Amacher, J.F, Madden, D.R. 登録日 2012-03-09 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Stereochemical Determinants of C-terminal Specificity in PDZ Peptide-binding Domains: A NOVEL CONTRIBUTION OF THE CARBOXYLATE-BINDING LOOP. J.Biol.Chem., 288, 2013
1AJ4	STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE 分子名称: CALCIUM ION, TROPONIN C 著者 Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. 登録日 1997-05-14 公開日 1998-05-20 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain. J.Biol.Chem., 272, 1997
1IO3	CRYSTAL STRUCTURE OF FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS VIRIDIS 分子名称: CYTOCHROME C2, HEME C 著者 Miki, K, Sogabe, S. 登録日 2001-01-06 公開日 2001-04-18 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of the oxidized cytochrome c(2) from Blastochloris viridis. FEBS Lett., 491, 2001
3E7S	Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 分子名称: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... 著者 Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. 登録日 2008-08-18 公開日 2008-10-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
4E7A	Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin deletion bound to primer-template RNA with a 2',3'-ddC 分子名称: 5'-R(*CP*AP*UP*GP*GP*C)-D(P*(DOC))-3', RNA-directed RNA polymerase 著者 Edwards, T.E, Mosley, R.T. 登録日 2012-03-16 公開日 2012-04-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure of hepatitis C virus polymerase in complex with primer-template RNA. J.Virol., 86, 2012
1B5M	RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE 著者 Rivera, M, White, S.P, Zhang, X. 登録日 1996-11-07 公開日 1997-03-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 13C NMR spectroscopic and X-ray crystallographic study of the role played by mitochondrial cytochrome b5 heme propionates in the electrostatic binding to cytochrome c. Biochemistry, 35, 1996
3W8I	Crystal structure of CCM3 in complex with the C-terminal regulatory domain of MST4 分子名称: Programmed cell death protein 10, Serine/threonine-protein kinase MST4 著者 Xu, X, Wang, D.C, Ding, J. 登録日 2013-03-13 公開日 2013-07-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural Basis for the Unique Heterodimeric Assembly between Cerebral Cavernous Malformation 3 and Germinal Center Kinase III. Structure, 21, 2013
5Q0R	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
4I6N	Crystal structure of Trichinella spiralis UCH37 catalytic domain bound to Ubiquitin vinyl methyl ester 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, METHYL 4-AMINOBUTANOATE, SODIUM ION, ... 著者 Morrow, M.E, Ronau, J.A, White, R.R, Artavanis-Tsakonas, K, Das, C. 登録日 2012-11-29 公開日 2013-05-29 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.701 Å) 主引用文献 Stabilization of an Unusual Salt Bridge in Ubiquitin by the Extra C-Terminal Domain of the Proteasome-Associated Deubiquitinase UCH37 as a Mechanism of Its Exo Specificity. Biochemistry, 52, 2013
1U97	Solution Structure of Apo Yeast Cox17 分子名称: Cytochrome c oxidase copper chaperone 著者 Abajian, C, Yatsunyk, L.A, Ramirez, B.E, Rosenzweig, A.C. 登録日 2004-08-09 公開日 2004-10-05 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Yeast cox17 solution structure and Copper(I) binding. J.Biol.Chem., 279, 2004
1U7L	Crystal Structure of subunit C (vma5p) of the yeast V-ATPase 分子名称: L(+)-TARTARIC ACID, Vacuolar ATP synthase subunit C 著者 Nelson, N, Frolow, F, Drory, O. 登録日 2004-08-04 公開日 2004-11-23 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of yeast V-ATPase subunit C reveals its stator function Embo Rep., 5, 2004
3RO4	X-ray Structure of Ketohexokinase in complex with an indazole compound derivative 分子名称: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION 著者 Abad, M.C, Gibbs, A.C. 登録日 2011-04-25 公開日 2011-08-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
5QGP	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-221 分子名称: (3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
3W8H	Crystal structure of CCM3 in complex with the C-terminal regulatory domain of STK25 分子名称: Programmed cell death protein 10, SULFATE ION, Serine/threonine-protein kinase 25 著者 Xu, X, Wang, D.C, Ding, J. 登録日 2013-03-13 公開日 2013-07-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.426 Å) 主引用文献 Structural Basis for the Unique Heterodimeric Assembly between Cerebral Cavernous Malformation 3 and Germinal Center Kinase III. Structure, 21, 2013
4LEN	CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid 分子名称: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase 著者 Tondi, D. 登録日 2013-06-26 公開日 2014-06-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative. J.Med.Chem., 57, 2014
1WR5	Three dimensional Structure of the E41K mutant of Tetraheme Cytochrome c3 from Desulfovibrio vulgaris Miyazaki F 分子名称: Cytochrome c3, ETHANOL, HEME C 著者 Tomimoto, Y, Ogata, H, Higuchi, Y. 登録日 2004-10-11 公開日 2004-10-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Role of the aromatic ring of Tyr43 in tetraheme cytochrome c(3) from Desulfovibrio vulgaris Miyazaki F. Biophys.J., 85, 2003

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