PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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3O50	Crystal structure of benzamide 9 bound to AuroraA Descriptor: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 Authors: Huang, X. Deposit date: 2010-07-27 Release date: 2010-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
3NNX	Crystal structure of phosphorylated P38 alpha in complex with DP802 Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 Authors: Abendroth, J. Deposit date: 2010-06-24 Release date: 2010-09-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
1BQY	Plasminogen activator (TSV-PA) from snake venom Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR Authors: Parry, M.A.A, Bode, W. Deposit date: 1998-08-20 Release date: 1999-08-20 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The crystal structure of the novel snake venom plasminogen activator TSV-PA: a prototype structure for snake venom serine proteinases. Structure, 6, 1998
1C1P	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, CALCIUM ION, DIMETHYL SULFOXIDE, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1C2M	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: CALCIUM ION, MAGNESIUM ION, SULFATE ION, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1BTY	Crystal structure of beta-trypsin in complex with benzamidine Descriptor: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION Authors: Stroud, R.M, Katz, B.A, Finer-Moore, J. Deposit date: 1995-05-17 Release date: 1995-10-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface. Biochemistry, 34, 1995
3O71	Crystal structure of ERK2/DCC peptide complex Descriptor: Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION Authors: Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J. Deposit date: 2010-07-30 Release date: 2011-06-15 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase Structure, 18, 2010
1BRU	STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH THE ELASTASE INHIBITOR GR143783 Descriptor: 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL, ELASTASE Authors: Jhoti, H, Singh, O.M.P, Wonacott, A. Deposit date: 1998-08-24 Release date: 1999-08-25 Last modified: 2018-04-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: To be Published
3OD6	Crystal structure of p38alpha Y323T active mutant Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Livnah, O, Tzarum, N. Deposit date: 2010-08-11 Release date: 2011-01-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.682 Å) Cite: Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
1C2G	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, CALCIUM ION, DIMETHYL SULFOXIDE, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1BTZ	Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide Authors: Stroud, R.M, Katz, B.A, Finer-Moore, J. Deposit date: 1995-05-17 Release date: 1995-10-15 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (2 Å) Cite: Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface. Biochemistry, 34, 1995
3NNV	Crystal structure of P38 alpha in complex with DP437 Descriptor: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 Authors: Abendroth, J. Deposit date: 2010-06-24 Release date: 2010-09-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
3NRM	Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors Descriptor: N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine, Serine/threonine-protein kinase 6 Authors: Hruza, A. Deposit date: 2010-06-30 Release date: 2010-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
1C1N	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
3NUY	phosphoinositide-dependent kinase-1 (PDK1) with fragment17 Descriptor: GLYCEROL, PkB-like, SULFATE ION, ... Authors: Campobasso, N, Ward, P. Deposit date: 2010-07-07 Release date: 2011-05-25 Last modified: 2018-10-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery. ACS Med Chem Lett, 1, 2010
1C2H	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, MAGNESIUM ION, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
1C2J	RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, MAGNESIUM ION, ... Authors: Katz, B.A, Luong, C. Deposit date: 1999-07-21 Release date: 2000-07-26 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
3NR9	Structure of human CDC2-like kinase 2 (CLK2) Descriptor: (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 Authors: Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2010-06-30 Release date: 2010-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Structure of human CDC2-like kinase 2 (CLK2) To be Published
3NUU	phosphoinositide-dependent kinase-1 (PDK1) with fragment11 Descriptor: 3,4-dihydroisoquinolin-1(2H)-one, GLYCEROL, PkB-like, ... Authors: Campobasso, N, Ward, P. Deposit date: 2010-07-07 Release date: 2011-05-25 Last modified: 2018-10-10 Method: X-RAY DIFFRACTION (1.9803 Å) Cite: Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery. ACS Med Chem Lett, 1, 2010
3O8U	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. Deposit date: 2010-08-03 Release date: 2010-09-01 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3OHT	Crystal Structure of Salmo Salar p38alpha Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION, p38a Authors: Rothweiler, U, Johnson, K, Engh, R.A. Deposit date: 2010-08-18 Release date: 2011-06-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation J.Mol.Biol., 411, 2011
3ORZ	PDK1 mutant bound to allosteric disulfide fragment activator 2A2 Descriptor: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol Authors: Sadowsky, J.D, Wells, J.A. Deposit date: 2010-09-08 Release date: 2011-03-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9995 Å) Cite: Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc.Natl.Acad.Sci.USA, 108, 2011
5QBB	Crystal structure of Endothiapepsin-FRG140 complex Descriptor: 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Huschmann, F. Deposit date: 2017-08-04 Release date: 2020-04-22 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.759 Å) Cite: Crystal structure of Endothiapepsin To be published
5QBJ	Crystal structure of Endothiapepsin-FRG283 complex Descriptor: 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, ACETATE ION, Endothiapepsin, ... Authors: Huschmann, F. Deposit date: 2017-08-04 Release date: 2020-04-22 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.699 Å) Cite: Crystal structure of Endothiapepsin To be published
5QBR	Crystal structure of Endothiapepsin Descriptor: (3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Huschmann, F. Deposit date: 2017-08-04 Release date: 2020-04-22 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.418 Å) Cite: Crystal structure of Endothiapepsin To be published

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