1NU6
| Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, MERCURY (II) ION | 著者 | Hennig, M, Stihle, M, Thoma, R, Ruf, A. | 登録日 | 2003-01-31 | 公開日 | 2003-08-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV. Structure, 11, 2003
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5KMG
| Near-atomic cryo-EM structure of PRC1 bound to the microtubule | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Kellogg, E.H, Howes, S, Ti, S.-C, Ramirez-Aportela, E, Kapoor, T.M, Chacon, P, Nogales, E. | 登録日 | 2016-06-27 | 公開日 | 2016-08-03 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Near-atomic cryo-EM structure of PRC1 bound to the microtubule. Proc.Natl.Acad.Sci.USA, 113, 2016
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1M7Q
| Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | 分子名称: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | 著者 | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | 登録日 | 2002-07-22 | 公開日 | 2002-12-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 13, 2003
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1WBO
| fragment based p38 inhibitors | 分子名称: | 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Cleasby, A, Devine, L, Gill, A, Jhoti, H. | 登録日 | 2004-11-04 | 公開日 | 2005-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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1WBW
| Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
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1WBV
| Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | 分子名称: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | 登録日 | 2004-11-05 | 公開日 | 2005-11-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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5IKR
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5JWG
| Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Asp | 分子名称: | 1,2-ETHANEDIOL, ARGININE, ASPARTIC ACID, ... | 著者 | Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K. | 登録日 | 2016-05-12 | 公開日 | 2017-06-14 | 最終更新日 | 2017-06-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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5K4L
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5FDZ
| Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | 分子名称: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-16 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5JXK
| Crystal structure of Porphyromonas endodontalis DPP11 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | 登録日 | 2016-05-13 | 公開日 | 2017-06-14 | 最終更新日 | 2017-06-21 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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1M7V
| STRUCTURE OF A NITRIC OXIDE SYNTHASE HEME PROTEIN FROM BACILLUS SUBTILIS WITH TETRAHYDROFOLATE AND ARGININE BOUND | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ARGININE, Nitric Oxide Synthase, ... | 著者 | Pant, K, Bilwes, A.M, Adak, S, Stuehr, D.J, Crane, B.R. | 登録日 | 2002-07-22 | 公開日 | 2002-10-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure of a nitric oxide synthase heme protein from Bacillus subtilis. Biochemistry, 41, 2002
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5LAW
| Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | 分子名称: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5FJ2
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-10-06 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5FVZ
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, CHLORIDE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2016-06-08 | 実験手法 | X-RAY DIFFRACTION (2.048 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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5FVQ
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | 分子名称: | 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2016-02-10 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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1NI6
| Comparisions of the Heme-Free and-Bound Crystal Structures of Human Heme Oxygenase-1 | 分子名称: | CHLORIDE ION, Heme oxygenase 1, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | 著者 | Lad, L, Schuller, D.J, Friedman, J, Li, H, Shimizu, H, Ortiz de Montellano, P.R, Poulos, T.L. | 登録日 | 2002-12-21 | 公開日 | 2003-04-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1 J.Biol.Chem., 278, 2003
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5J3J
| Crystal Structure of human DPP-IV in complex with HL1 | 分子名称: | (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | 著者 | Wu, F, Li, H, Zhao, Z, Zhu, L, Xu, H, Li, S. | 登録日 | 2016-03-31 | 公開日 | 2017-04-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal Structure of human DPP-IV in complex with HL1 To Be Published
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5FJ3
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-10-06 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5JH5
| Structural Basis for the Hierarchical Assembly of the Core of PRC1.1 | 分子名称: | BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ... | 著者 | Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A. | 登録日 | 2016-04-20 | 公開日 | 2016-09-14 | 最終更新日 | 2016-10-19 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1. Structure, 24, 2016
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5HBF
| Crystal structure of human full-length chitotriosidase (CHIT1) | 分子名称: | Chitotriosidase-1, GLYCEROL | 著者 | Fadel, F, Zhao, Y, Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | 登録日 | 2015-12-31 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | X-Ray Crystal Structure of the Full Length Human Chitotriosidase (CHIT1) Reveals Features of Its Chitin Binding Domain. Plos One, 11, 2016
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5H7T
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1KMM
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5HLW
| Crystal structure of c-Met mutant Y1230H in complex with compound 14 | 分子名称: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | 著者 | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | 登録日 | 2016-01-15 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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1LKE
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