3GEB
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![BU of 3geb by Molmil](/molmil-images/mine/3geb) | Crystal Structure of edeya2 | Descriptor: | Eyes absent homolog 2, MAGNESIUM ION | Authors: | Kim, S.J. | Deposit date: | 2009-02-25 | Release date: | 2009-04-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of edeya2 To be Published
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3GJ7
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![BU of 3gj7 by Molmil](/molmil-images/mine/3gj7) | |
3G97
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![BU of 3g97 by Molmil](/molmil-images/mine/3g97) | GR DNA-binding domain:GilZ 16bp complex-9 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*GP*GP*GP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*CP*CP*CP*AP*AP*TP*GP*TP*TP*CP*T)-3'), ... | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | Deposit date: | 2009-02-13 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
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3G9E
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![BU of 3g9e by Molmil](/molmil-images/mine/3g9e) | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | Deposit date: | 2009-02-13 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg.Med.Chem.Lett., 19, 2009
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3G9O
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![BU of 3g9o by Molmil](/molmil-images/mine/3g9o) | GR DNA-binding domain:Sgk 16bp complex-9 | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), Glucocorticoid receptor, ... | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | Deposit date: | 2009-02-13 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity. Science, 324, 2009
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3GHT
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![BU of 3ght by Molmil](/molmil-images/mine/3ght) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3GJ5
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![BU of 3gj5 by Molmil](/molmil-images/mine/3gj5) | |
3GI3
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![BU of 3gi3 by Molmil](/molmil-images/mine/3gi3) | Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | Authors: | Qian, K.C. | Deposit date: | 2009-03-05 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3GJ4
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3GEN
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![BU of 3gen by Molmil](/molmil-images/mine/3gen) | The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J, Liu, Y.T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F. | Deposit date: | 2009-02-25 | Release date: | 2010-01-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases. Protein Sci., 19, 2010
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3GHR
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![BU of 3ghr by Molmil](/molmil-images/mine/3ghr) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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3ET7
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![BU of 3et7 by Molmil](/molmil-images/mine/3et7) | Crystal structure of PYK2 complexed with PF-2318841 | Descriptor: | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta | Authors: | Han, S. | Deposit date: | 2008-10-07 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation. Bioorg.Med.Chem.Lett., 18, 2008
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3EQR
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![BU of 3eqr by Molmil](/molmil-images/mine/3eqr) | Crystal Structure of Ack1 with compound T74 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3ESN
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![BU of 3esn by Molmil](/molmil-images/mine/3esn) | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide | Descriptor: | N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2008-10-06 | Release date: | 2009-04-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies. J.Med.Chem., 52, 2009
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3EUU
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![BU of 3euu by Molmil](/molmil-images/mine/3euu) | |
3ET3
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3EXF
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![BU of 3exf by Molmil](/molmil-images/mine/3exf) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | Deposit date: | 2008-10-16 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
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3EXG
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![BU of 3exg by Molmil](/molmil-images/mine/3exg) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. | Deposit date: | 2008-10-16 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
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3EAI
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![BU of 3eai by Molmil](/molmil-images/mine/3eai) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, 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: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EBA
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![BU of 3eba by Molmil](/molmil-images/mine/3eba) | CAbHul6 FGLW mutant (humanized) in complex with human lysozyme | Descriptor: | CAbHul6, Lysozyme C, SULFATE ION | Authors: | Loris, R, Vincke, C, Saerens, D, Martinez-Rodriguez, S, Muyldermans, S, Conrath, K. | Deposit date: | 2008-08-27 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | General Strategy to Humanize a Camelid Single-domain Antibody and Identification of a Universal Humanized Nanobody Scaffold J.Biol.Chem., 284, 2009
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3EFH
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![BU of 3efh by Molmil](/molmil-images/mine/3efh) | |
3ERB
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![BU of 3erb by Molmil](/molmil-images/mine/3erb) | |
3ESP
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![BU of 3esp by Molmil](/molmil-images/mine/3esp) | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-3,5-dimethyl-4-hydroxybenzamide | Descriptor: | N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2008-10-06 | Release date: | 2009-04-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies. J.Med.Chem., 52, 2009
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3E65
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![BU of 3e65 by Molmil](/molmil-images/mine/3e65) | Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 | Descriptor: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EBS
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