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3FUR	Crystal Structure of PPARg in complex with INT131 Descriptor: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... Authors: Wang, Z, Liu, J, Walker, N. Deposit date: 2009-01-14 Release date: 2009-06-09 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
3G5M	Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity Descriptor: 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... Authors: Maiti, A, Sturdy, M, Marler, L, Pegan, S.D, Mesecar, A.D, Pezzuto, J.M, Cushman, M. Deposit date: 2009-02-05 Release date: 2009-03-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52, 2009
3DV7	Role of Hydrophilic Residues in Proton Transfer During Catalysis by Human Carbonic Anhydrase II (N62A) Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Avvaru, B.S. Deposit date: 2008-07-18 Release date: 2008-11-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II. Biochemistry, 47, 2008
3DKJ	Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase Authors: Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. Deposit date: 2008-06-25 Release date: 2009-08-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3DGR	Crystal structure of human NAMPT complexed with ADP analogue Descriptor: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER Authors: Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. Deposit date: 2008-06-15 Release date: 2009-08-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3DHF	Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate Descriptor: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ... Authors: Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. Deposit date: 2008-06-17 Release date: 2009-08-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3DKB	Crystal Structure of A20, 2.5 angstrom Descriptor: Tumor necrosis factor, alpha-induced protein 3 Authors: Lin, S.-C, Chung, J.Y, Lo, Y.-C, Wu, H. Deposit date: 2008-06-24 Release date: 2008-07-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Molecular basis for the unique deubiquitinating activity of the NF-kappaB inhibitor A20 J.Mol.Biol., 376, 2008
3DO4	Crystal structure of transthyretin variant T60A at acidic pH Descriptor: ACETATE ION, Transthyretin Authors: Cendron, L, Zanotti, G, Folli, C, Berni, R. Deposit date: 2008-07-03 Release date: 2009-07-14 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Amyloidogenic potential of transthyretin variants: Insights from structural and computational analyses To be Published
3DOF	Complex of ARL2 and BART, Crystal Form 2 Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Zhang, T, Li, S, Ding, J. Deposit date: 2008-07-04 Release date: 2009-03-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector Structure, 17, 2009
3DRM	2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin Descriptor: Alpha-1-antitrypsin Authors: Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. Deposit date: 2008-07-11 Release date: 2009-03-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design. J.Mol.Biol., 387, 2009
3DS6	P38 complex with a phthalazine inhibitor Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide Authors: Herberich, B, Syed, R, Li, V, Grosfeld, D. Deposit date: 2008-07-11 Release date: 2008-10-07 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
3DRE	Crystal structure of Human Brain-type Creatine Kinase Descriptor: Creatine kinase B-type Authors: Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M. Deposit date: 2008-07-11 Release date: 2009-03-17 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex Febs Lett., 582, 2008
3DVD	X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Avvaru, B.S. Deposit date: 2008-07-18 Release date: 2008-11-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II. Biochemistry, 47, 2008
3FFP	X ray structure of the complex between carbonic anhydrase II and LC inhibitors Descriptor: 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... Authors: Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T. Deposit date: 2008-12-04 Release date: 2009-08-18 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.81 Å) Cite: A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases Bioorg.Med.Chem.Lett., 19, 2009
3FJE	Crystal structure of C83S mutant of Human acidic fibroblast growth factor Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION Authors: Blaber, M, Lee, J. Deposit date: 2008-12-14 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine. J.Mol.Biol., 393, 2009
3FJH	Crystal structure of C83A mutant of Human acidic fibroblast growth factor Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION Authors: Blaber, M, Lee, J. Deposit date: 2008-12-14 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine. J.Mol.Biol., 393, 2009
3FLS	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-2-((R)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-19 Release date: 2009-12-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FR0	Human glucokinase in complex with 2-amino benzamide activator Descriptor: 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, SODIUM ION, ... Authors: Kamata, K. Deposit date: 2009-01-08 Release date: 2009-02-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators Bioorg.Med.Chem.Lett., 19, 2009
3FTY	Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-13 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUF	Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-14 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FR2	N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors Descriptor: 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte Authors: Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T. Deposit date: 2009-01-08 Release date: 2009-03-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3FR5	N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors Descriptor: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte Authors: Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T. Deposit date: 2009-01-08 Release date: 2009-03-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3FU3	Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol Descriptor: 4-(2-amino-1,3-thiazol-4-yl)phenol, ACETATE ION, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-13 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUK	Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid Descriptor: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ... Authors: Davies, D.R. Deposit date: 2009-01-14 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FS1	Crystal structure of HNF4a LBD in complex with the ligand and the coactivator PGC-1a fragment Descriptor: Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, PPARgamma Coactivator-1a (PGC-1a) Authors: Rha, G, Wu, G, Chi, Y. Deposit date: 2009-01-08 Release date: 2009-10-27 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Multiple binding modes between HNF4alpha and the LXXLL motifs of PGC-1alpha lead to full activation J.Biol.Chem., 284, 2009

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