2YLY
| Sulfonamides as selective Estrogen Receptor beta Agonists. | 分子名称: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | 著者 | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | 登録日 | 2011-06-06 | 公開日 | 2012-06-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Sulfonamides as Selective Oestrogen Receptor Beta Agonists. Bioorg.Med.Chem.Lett., 21, 2011
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2XD7
| Crystal structure of the macro domain of human core histone H2A | 分子名称: | CORE HISTONE MACRO-H2A.2 | 著者 | Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | 登録日 | 2010-04-29 | 公開日 | 2010-05-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystal Structure of the Macro Domain of Human Core Histone H2A To be Published
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2W4O
| Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide) | 分子名称: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV | 著者 | Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S. | 登録日 | 2008-11-28 | 公開日 | 2009-01-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide) To be Published
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2X7F
| Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | 分子名称: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | 著者 | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | 登録日 | 2010-02-26 | 公開日 | 2010-07-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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2O2T
| The crystal structure of the 1st PDZ domain of MPDZ | 分子名称: | Multiple PDZ domain protein | 著者 | Papagrigoriou, E, Gileadi, C, Phillips, C, Johansson, C, Salah, E, Savitsky, P, Gorrec, F, Umeano, C, Berridge, G, Pike, A.C.W, Elkins, J, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | 登録日 | 2006-11-30 | 公開日 | 2006-12-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The crystal structure of the 1st PDZ domain of MPDZ To be Published
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3LM0
| Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ... | 著者 | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-01-29 | 公開日 | 2010-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 |
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3LM5
| Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | 著者 | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-01-29 | 公開日 | 2010-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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2JM5
| Solution Structure of the RGS domain from human RGS18 | 分子名称: | Regulator of G-protein signaling 18 | 著者 | Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | 登録日 | 2006-10-11 | 公開日 | 2006-10-24 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5A5I
| Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
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2YIY
| Crystal structure of compound 8 bound to TAK1-TAB | 分子名称: | (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1 | 著者 | Brown, D.G, Phillips, C. | 登録日 | 2011-05-17 | 公開日 | 2012-05-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | The Discovery and Synthesis of Selective Dfg-Out Tak-1 Inhibitors To be Published
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2JNU
| Solution structure of the RGS domain of human RGS14 | 分子名称: | Regulator of G-protein signaling 14 | 著者 | Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | 登録日 | 2007-02-02 | 公開日 | 2007-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2X47
| Crystal structure of human MACROD1 | 分子名称: | MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION | 著者 | Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | 登録日 | 2010-01-28 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases. J.Biol.Chem., 286, 2011
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5A5J
| Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. To be Published
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3O5N
| Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | 分子名称: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | 著者 | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | 登録日 | 2010-07-28 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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3H9R
| Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | 分子名称: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-30 | 公開日 | 2009-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva. J.Biol.Chem., 287, 2012
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2JIK
| Crystal structure of PDZ domain of Synaptojanin-2 binding protein | 分子名称: | SYNAPTOJANIN-2 BINDING PROTEIN | 著者 | Tickle, J, Phillips, C, Pike, A.C.W, Cooper, C, Salah, E, Elkins, J, Turnbull, A.P, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D. | 登録日 | 2007-06-28 | 公開日 | 2007-07-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal Structure of Pdz Domain of Synaptojanin-2 Binding Protein To be Published
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2JIN
| Crystal structure of PDZ domain of Synaptojanin-2 binding protein | 分子名称: | SODIUM ION, SULFATE ION, SYNAPTOJANIN-2 BINDING PROTEIN | 著者 | Tickle, J, Phillips, C, Pike, A.C.W, Cooper, C, Salah, E, Elkins, J, Turnbull, A.P, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D. | 登録日 | 2007-06-28 | 公開日 | 2007-07-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of Pdz Domain of Synaptojanin-2 Binding Protein To be Published
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3I3J
| Crystal Structure of the Bromodomain of Human EP300 | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histone acetyltransferase p300, ... | 著者 | Filippakopoulos, P, Picaud, S, Phillips, C, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-06-30 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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2JLE
| Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays | 分子名称: | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH | 著者 | Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M. | 登録日 | 2008-09-08 | 公開日 | 2009-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays. J.Med.Chem., 52, 2009
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3T7L
| Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution | 分子名称: | 1,2-ETHANEDIOL, ZINC ION, Zinc finger FYVE domain-containing protein 16 | 著者 | Chaikuad, A, Williams, E, Guo, K, Sanvitale, C, Berridge, G, Krojer, T, Muniz, J.R.C, Canning, P, Phillips, C, Shrestha, A, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2011-07-30 | 公開日 | 2011-08-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution To be Published
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2YIX
| Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2WEO
| Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-04-01 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEJ
| Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-03-31 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEH
| Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | 分子名称: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | 登録日 | 2009-03-31 | 公開日 | 2009-11-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2YB9
| Crystal Structure of Human Neutral Endopeptidase complexed with a heteroarylalanine diacid. | 分子名称: | HETEROARYLALANINE 5-PHENYL OXAZOLE, NEPRILYSIN, ZINC ION | 著者 | Glossop, M.S, Bazin, R.J, Dack, K.N, Done, S, Fox, D.N.A, MacDonald, G.A, Mills, M, Owen, D.R, Phillips, C, Reeves, K.A, Ringer, T.J, Strang, R.S, Watson, C.A.L. | 登録日 | 2011-03-02 | 公開日 | 2011-05-25 | 最終更新日 | 2011-11-02 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Synthesis and Evaluation of Heteroarylalanine Diacids as Potent and Selective Neutral Endopeptidase Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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