PDB: 215264 resultsInfo pagesStatus searchChemie searchBIRD

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2G1Y	Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring Descriptor: 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 Authors: Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. Deposit date: 2006-02-15 Release date: 2006-06-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 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 Descriptor: 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE, Serine/threonine-protein kinase Chk1 Authors: Yan, Y, Munshi, S. Deposit date: 2007-07-02 Release date: 2008-03-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 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) Descriptor: DI(HYDROXYETHYL)ETHER, IODIDE ION, Thiol:disulfide interchange protein dsbD Authors: Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. Deposit date: 2006-02-02 Release date: 2006-06-13 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (0.99 Å) Cite: 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) Descriptor: IODIDE ION, SODIUM ION, Thiol:disulfide interchange protein dsbD Authors: Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. Deposit date: 2006-02-02 Release date: 2006-06-13 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.3 Å) Cite: 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 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE, Renin Authors: Holsworth, D.D, Zhanga, E. Deposit date: 2006-02-14 Release date: 2006-06-13 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 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 Descriptor: (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin Authors: Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. Deposit date: 2006-02-15 Release date: 2006-06-13 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin Authors: Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. Deposit date: 2006-02-15 Release date: 2006-06-13 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: 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 Descriptor: CHLORIDE ION, GKAP C terminus, synthetic peptide, ... Authors: Ponna, S.K, Myllykoski, M, Boeckers, T.M, Kursula, P. Deposit date: 2017-08-28 Release date: 2018-03-07 Last modified: 2018-07-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: 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 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ... Authors: 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. Deposit date: 2012-08-07 Release date: 2012-12-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: 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 Descriptor: Tax1-binding protein 3, iCAL50 peptide Authors: Amacher, J.F, Madden, D.R. Deposit date: 2012-03-09 Release date: 2012-12-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: CALCIUM ION, TROPONIN C Authors: Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. Deposit date: 1997-05-14 Release date: 1998-05-20 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: 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 Descriptor: CYTOCHROME C2, HEME C Authors: Miki, K, Sogabe, S. Deposit date: 2001-01-06 Release date: 2001-04-18 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 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 Descriptor: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... Authors: 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. Deposit date: 2008-08-18 Release date: 2008-10-07 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 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 Descriptor: 5'-R(*CP*AP*UP*GP*GP*C)-D(P*(DOC))-3', RNA-directed RNA polymerase Authors: Edwards, T.E, Mosley, R.T. Deposit date: 2012-03-16 Release date: 2012-04-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3 Å) Cite: Structure of hepatitis C virus polymerase in complex with primer-template RNA. J.Virol., 86, 2012
1B5M	RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE Authors: Rivera, M, White, S.P, Zhang, X. Deposit date: 1996-11-07 Release date: 1997-03-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 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 Descriptor: Programmed cell death protein 10, Serine/threonine-protein kinase MST4 Authors: Xu, X, Wang, D.C, Ding, J. Deposit date: 2013-03-13 Release date: 2013-07-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: 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 Descriptor: 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 Authors: Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-05-31 Release date: 2017-07-05 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.91 Å) Cite: 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 Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, METHYL 4-AMINOBUTANOATE, SODIUM ION, ... Authors: Morrow, M.E, Ronau, J.A, White, R.R, Artavanis-Tsakonas, K, Das, C. Deposit date: 2012-11-29 Release date: 2013-05-29 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.701 Å) Cite: 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 Descriptor: Cytochrome c oxidase copper chaperone Authors: Abajian, C, Yatsunyk, L.A, Ramirez, B.E, Rosenzweig, A.C. Deposit date: 2004-08-09 Release date: 2004-10-05 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: 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 Descriptor: L(+)-TARTARIC ACID, Vacuolar ATP synthase subunit C Authors: Nelson, N, Frolow, F, Drory, O. Deposit date: 2004-08-04 Release date: 2004-11-23 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: 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 Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION Authors: Abad, M.C, Gibbs, A.C. Deposit date: 2011-04-25 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: 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 Descriptor: (3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: 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. Deposit date: 2018-05-15 Release date: 2019-03-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.09 Å) Cite: 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 Descriptor: Programmed cell death protein 10, SULFATE ION, Serine/threonine-protein kinase 25 Authors: Xu, X, Wang, D.C, Ding, J. Deposit date: 2013-03-13 Release date: 2013-07-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.426 Å) Cite: 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 Descriptor: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase Authors: Tondi, D. Deposit date: 2013-06-26 Release date: 2014-06-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: Cytochrome c3, ETHANOL, HEME C Authors: Tomimoto, Y, Ogata, H, Higuchi, Y. Deposit date: 2004-10-11 Release date: 2004-10-26 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 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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