PDB: 7770 resultsInfo pagesStatus searchChemie searchBIRD

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3GJR	Caspase-3 Binds Diverse P4 Residues in Peptides Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... Authors: Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. Deposit date: 2009-03-09 Release date: 2009-03-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
3IKA	Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide Authors: Yun, C.-H, Eck, M.J. Deposit date: 2009-08-05 Release date: 2010-01-12 Last modified: 2021-10-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Novel mutant-selective EGFR kinase inhibitors against EGFR T790M. Nature, 462, 2009
3IMR	Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dichlorostyryl)phenol Descriptor: 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol, Transthyretin Authors: Connelly, S, Wilson, I.A. Deposit date: 2009-08-11 Release date: 2010-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
3ISU	Crystal structure of the RGC domain of IQGAP3 Descriptor: Ras GTPase-activating-like protein IQGAP3 Authors: Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2009-08-27 Release date: 2009-09-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Crystal structure of the RGC domain of IQGAP3 to be published
3IW6	Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol Descriptor: Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside Authors: Gruetter, C, Simard, J.R, Rauh, D. Deposit date: 2009-09-02 Release date: 2009-11-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
3I7Z	Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGFR receptor fragment, GLYCEROL, ... Authors: Brandao, T.A.S, Johnson, S.J, Hengge, A.C. Deposit date: 2009-07-09 Release date: 2010-03-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps. J.Biol.Chem., 285, 2010
3GW5	Crystal structure of human renin complexed with a novel inhibitor Descriptor: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Wu, Z, McKeever, B.M. Deposit date: 2009-03-31 Release date: 2009-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg.Med.Chem.Lett., 19, 2009
3GY5	A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC Descriptor: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... Authors: Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. Deposit date: 2009-04-03 Release date: 2010-03-23 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
3LPB	Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor Descriptor: N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 Authors: Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. Deposit date: 2010-02-05 Release date: 2010-04-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3H0V	Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, PYRUVIC ACID, ... Authors: Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E. Deposit date: 2009-04-10 Release date: 2009-06-30 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase. Biochemistry, 48, 2009
3LD6	Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole Descriptor: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ... Authors: Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) Deposit date: 2010-01-12 Release date: 2010-02-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural basis of human CYP51 inhibition by antifungal azoles. J.Mol.Biol., 397, 2010
3GJS	Caspase-3 Binds Diverse P4 Residues in Peptides Descriptor: Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. Deposit date: 2009-03-09 Release date: 2009-03-24 Last modified: 2011-08-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
3L5X	Crystal structure of the complex between IL-13 and H2L6 FAB Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ... Authors: Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. Deposit date: 2009-12-22 Release date: 2010-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Human framework adaptation of a mouse anti-human IL-13 antibody. J.Mol.Biol., 398, 2010
3LP7	Crystal structure of Human Arginase I in complex with inhibitor N(omega)-hydroxy-L-arginine (NOHA), 2.04A Resolution Descriptor: Arginase-1, MANGANESE (II) ION, N-OMEGA-HYDROXY-L-ARGININE Authors: Di Costanzo, L, Christianson, D.W. Deposit date: 2010-02-04 Release date: 2010-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Inhibition of human arginase I by substrate and product analogues. Arch.Biochem.Biophys., 496, 2010
3LQC	X-ray crystal structure of oxidized XRCC1 bound to DNA pol beta Palm thumb domain Descriptor: CARBONATE ION, DNA polymerase beta, DNA repair protein XRCC1, ... Authors: Cuneo, M.J, Krahn, J.M, London, R.E. Deposit date: 2010-02-09 Release date: 2010-04-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.349 Å) Cite: Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity. Proc.Natl.Acad.Sci.USA, 107, 2010
3L8V	Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a biarylamine based inhibitor Descriptor: 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide, Hepatocyte growth factor receptor Authors: Sack, J. Deposit date: 2010-01-04 Release date: 2010-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Design, synthesis and structure-activity relationships of novel biarylamine-based Met kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3H8B	A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) Descriptor: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide Authors: Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. Deposit date: 2009-04-29 Release date: 2009-10-20 Last modified: 2014-02-05 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
3GY3	A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC Descriptor: 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ... Authors: Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. Deposit date: 2009-04-03 Release date: 2010-03-23 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
3KVF	Crystal structure of the I93M mutant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester Descriptor: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1 Authors: Davies, C.W, Maiti, T.K, Das, C. Deposit date: 2009-11-30 Release date: 2010-06-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation. Proc.Natl.Acad.Sci.USA, 107, 2010
3KVQ	Crystal structure of VEGFR2 extracellular domain D7 Descriptor: Vascular endothelial growth factor receptor 2 Authors: Yang, Y, Opatowsky, Y, Xie, P, Schlessinger, J. Deposit date: 2009-11-30 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Direct contacts between extracellular membrane-proximal domains are required for VEGF receptor activation and cell signaling Proc.Natl.Acad.Sci.USA, 107, 2010
3KW5	Crystal structure of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester Descriptor: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1 Authors: Maiti, T.K, Boudreaux, D.A, Das, C. Deposit date: 2009-11-30 Release date: 2010-06-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.83 Å) Cite: Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation. Proc.Natl.Acad.Sci.USA, 107, 2010
3KJY	Crystal structure of reduced HOMO SAPIENS CLIC3 Descriptor: Chloride intracellular channel protein 3, SULFATE ION Authors: Littler, D.R, Curmi, P.M.G, Breit, S.N, Perrakis, A. Deposit date: 2009-11-04 Release date: 2009-11-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure of human CLIC3 at 2 A resolution Proteins, 78, 2010
3FM6	Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii Descriptor: CALCIUM ION, FE (III) ION, GLYCEROL, ... Authors: Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. Deposit date: 2008-12-19 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates To be Published
3FMU	Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii Descriptor: CACODYLATE ION, CALCIUM ION, FE (III) ION, ... Authors: Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. Deposit date: 2008-12-22 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.04 Å) Cite: Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates To be Published
3FOR	Thermolysin Complexed with BNPA (2-Benzyl-3-Nitro Propanoic Acid Amide) Descriptor: (2R)-2-benzyl-3-nitropropanamide, CALCIUM ION, DIMETHYL SULFOXIDE, ... Authors: Wang, S.-F, Jin, J.-Y, Tian, G.-R. Deposit date: 2008-12-31 Release date: 2010-01-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Nitro as ZBG in the inhibition of Thermolysin To be Published

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