PDB: 36840 resultsInfo pagesStatus searchChemie 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 Descriptor: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)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: 2023-09-06 Method: X-RAY DIFFRACTION (2.23 Å) Cite: 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 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... Authors: Scheidig, A.J, Huber, S.K. Deposit date: 2005-03-13 Release date: 2005-04-25 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.57 Å) Cite: 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 Descriptor: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RUTHENIUM-PYRIDOCARBAZOLE-3 Authors: Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. Deposit date: 2005-08-18 Release date: 2005-10-12 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: 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 Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 Authors: Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. Deposit date: 2005-08-18 Release date: 2005-11-03 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.45 Å) Cite: 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 Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, mitogen-activated protein kinase Authors: Horjales, S, Schmidt-Arras, D, Leclercq, O, Spath, G, Buschiazzo, A. Deposit date: 2011-11-04 Release date: 2012-09-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.65 Å) Cite: 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 Descriptor: CALCIUM ION, CHLORIDE ION, DECTIN-1, ... Authors: Brown, J, O'Callaghan, C.A, Marshall, A.S.J, Gilbert, R.J.C, Siebold, C, Gordon, S, Brown, G.D, Jones, E.Y. Deposit date: 2005-04-19 Release date: 2006-08-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: 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 Descriptor: (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 Authors: Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. Deposit date: 2005-05-09 Release date: 2005-05-12 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: 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 Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN Authors: 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. Deposit date: 1997-10-10 Release date: 1998-12-16 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1S0Q	Native Bovine Pancreatic Trypsin Descriptor: CALCIUM ION, Trypsinogen Authors: Garcia-Granda, S, Chamorro Gavilanes, J.A. Deposit date: 2004-01-02 Release date: 2005-01-18 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.02 Å) Cite: 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 Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE Authors: Yermalitskaya, L.V, Waterman, M.R, Podust, L.M. Deposit date: 2005-08-12 Release date: 2006-12-07 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.21 Å) Cite: 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 Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 Authors: Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J. Deposit date: 2005-10-07 Release date: 2005-11-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 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 Descriptor: 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION Authors: Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. Deposit date: 2005-10-10 Release date: 2005-11-23 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.35 Å) Cite: 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 Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION Authors: Djinovic Carugo, K, Coda, A, Battistoni, A, Carri, M.T, Polticelli, F, Desideri, A, Rotilio, G, Wilson, K.S, Bolognesi, M. Deposit date: 1995-03-14 Release date: 1995-07-10 Last modified: 2019-08-14 Method: X-RAY DIFFRACTION (1.49 Å) Cite: 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 Descriptor: 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. Deposit date: 2007-03-15 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: (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 Authors: Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. Deposit date: 2005-05-09 Release date: 2005-05-12 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: 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 Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Yu, Y, Ding, J. Deposit date: 2004-10-24 Release date: 2005-03-08 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: 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. Deposit date: 2007-03-19 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: Gamma-crystallin D Authors: Basak, A.K, Slingsby, C. Deposit date: 2003-02-25 Release date: 2003-05-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.15 Å) Cite: 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) Descriptor: 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 Authors: Fujino, A, Takimoto-Kamimura, M. Deposit date: 2009-05-12 Release date: 2010-05-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.9 Å) Cite: 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 Descriptor: SULFATE ION, trypsin Authors: Schmidt, A, Lamzin, V.S. Deposit date: 2004-10-28 Release date: 2005-07-26 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (0.84 Å) Cite: 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 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... Authors: 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. Deposit date: 2004-10-06 Release date: 2005-01-11 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: 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 Descriptor: (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: 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. Deposit date: 2007-03-19 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.14 Å) Cite: 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 Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. Deposit date: 2007-03-15 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... Authors: 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. Deposit date: 2007-03-19 Release date: 2007-05-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: 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. Deposit date: 2004-11-09 Release date: 2004-11-30 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.13 Å) Cite: 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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