PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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3FLZ	P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
2BME	high resolution structure of GppNHp-bound human Rab4a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... 著者 Scheidig, A.J, Huber, S.K. 登録日 2005-03-13 公開日 2005-04-25 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations. FEBS Lett., 579, 2005
2BZJ	CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU3 分子名称: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RUTHENIUM-PYRIDOCARBAZOLE-3 著者 Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. 登録日 2005-08-18 公開日 2005-10-12 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands To be Published
2BZK	CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH AMPPNP AND PIMTIDE 分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 著者 Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. 登録日 2005-08-18 公開日 2005-11-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystal Structure of the Human Pim1 in Complex with Amppnp and Pimtide To be Published
3UIB	Map kinase LMAMPK10 from leishmania major in complex with SB203580 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, mitogen-activated protein kinase 著者 Horjales, S, Schmidt-Arras, D, Leclercq, O, Spath, G, Buschiazzo, A. 登録日 2011-11-04 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 The Crystal Structure of the MAP Kinase LmaMPK10 from Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms. Structure, 20, 2012
2BPE	STRUCTURE OF MURINE DECTIN-1 分子名称: CALCIUM ION, CHLORIDE ION, DECTIN-1, ... 著者 Brown, J, O'Callaghan, C.A, Marshall, A.S.J, Gilbert, R.J.C, Siebold, C, Gordon, S, Brown, G.D, Jones, E.Y. 登録日 2005-04-19 公開日 2006-08-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications for Function. Protein Sci., 16, 2007
2BRN	Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity 分子名称: (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 著者 Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. 登録日 2005-05-09 公開日 2005-05-12 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
1XUF	TRYPSIN-BABIM-ZN+2, PH 8.2 分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN 著者 Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. 登録日 1997-10-10 公開日 1998-12-16 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1S0Q	Native Bovine Pancreatic Trypsin 分子名称: CALCIUM ION, Trypsinogen 著者 Garcia-Granda, S, Chamorro Gavilanes, J.A. 登録日 2004-01-02 公開日 2005-01-18 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Pancratic bovine Trypsin native and inhibited with Benzamidine from synchotron data. To be Published
2BZ9	Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group 分子名称: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE 著者 Yermalitskaya, L.V, Waterman, M.R, Podust, L.M. 登録日 2005-08-12 公開日 2006-12-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
2C3I	CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I 分子名称: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 著者 Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J. 登録日 2005-10-07 公開日 2005-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity. Cancer Res., 67, 2007
2C3L	Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification 分子名称: 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION 著者 Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. 登録日 2005-10-10 公開日 2005-11-23 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
1XSO	THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS RESOLUTION 分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION 著者 Djinovic Carugo, K, Coda, A, Battistoni, A, Carri, M.T, Polticelli, F, Desideri, A, Rotilio, G, Wilson, K.S, Bolognesi, M. 登録日 1995-03-14 公開日 1995-07-10 最終更新日 2019-08-14 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Three-dimensional structure of Xenopus laevis Cu,Zn superoxide dismutase b determined by X-ray crystallography at 1.5 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
2UW0	Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine 分子名称: 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. 登録日 2007-03-15 公開日 2007-05-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
2BRO	Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity 分子名称: (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 著者 Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. 登録日 2005-05-09 公開日 2005-05-12 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
1XTQ	Structure of small GTPase human Rheb in complex with GDP 分子名称: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Yu, Y, Ding, J. 登録日 2004-10-24 公開日 2005-03-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis for the Unique Biological Function of Small GTPase RHEB J.Biol.Chem., 280, 2005
2UW4	Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine 分子名称: 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. 登録日 2007-03-19 公開日 2007-05-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
1H4A	Human GammaD Crystallin R58H mutant structure AT 1.15 A resolution 分子名称: Gamma-crystallin D 著者 Basak, A.K, Slingsby, C. 登録日 2003-02-25 公開日 2003-05-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 High-Resolution X-Ray Crystal Structures of Human GammaD Crystallin (1.25A) and the R58H Mutant (1.15A) Associated with Aculeiform Cataract J.Mol.Biol., 328, 2003
3A2C	Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2) 分子名称: MAP kinase-activated protein kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine, SULFATE ION 著者 Fujino, A, Takimoto-Kamimura, M. 登録日 2009-05-12 公開日 2010-05-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800 Acta Crystallogr.,Sect.D, 66, 2010
1XVO	Trypsin from Fusarium oxysporum at pH 6 分子名称: SULFATE ION, trypsin 著者 Schmidt, A, Lamzin, V.S. 登録日 2004-10-28 公開日 2005-07-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Extraction of functional motion in trypsin crystal structures. Acta Crystallogr.,Sect.D, 61, 2005
1XOG	N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... 著者 Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. 登録日 2004-10-06 公開日 2005-01-11 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
2UW5	Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine 分子名称: (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. 登録日 2007-03-19 公開日 2007-05-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
2UVX	Structure of PKA-PKB chimera complexed with 7-azaindole 分子名称: 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. 登録日 2007-03-15 公開日 2007-05-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design J.Med.Chem., 50, 2007
2UW7	Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine 分子名称: 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... 著者 Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. 登録日 2007-03-19 公開日 2007-05-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
1XYE	T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt 分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE 著者 Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. 登録日 2004-11-09 公開日 2004-11-30 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005

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