4JIK
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2G69
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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2O88
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4JBQ
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![BU of 4jbq by Molmil](/molmil-images/mine/4jbq) | Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules | Descriptor: | Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE | Authors: | Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2013-02-20 | Release date: | 2013-06-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules. Proc.Natl.Acad.Sci.USA, 110, 2013
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2O8U
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![BU of 2o8u by Molmil](/molmil-images/mine/2o8u) | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | Descriptor: | BENZAMIDINE, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors To be Published
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4JQE
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![BU of 4jqe by Molmil](/molmil-images/mine/4jqe) | Crystal structure of scCK2 alpha in complex with AMPPN | Descriptor: | Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Liu, H. | Deposit date: | 2013-03-20 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
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2G8R
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![BU of 2g8r by Molmil](/molmil-images/mine/2g8r) | The crystal structure of the RNase A- 3-N-piperidine-4-carboxyl-3-deoxy-ara-uridine complex | Descriptor: | 1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE, Ribonuclease pancreatic | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2006-03-03 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The binding of 3'-N-piperidine-4-carboxyl-3'-deoxy-ara-uridine to ribonuclease A in the crystal. Bioorg.Med.Chem., 14, 2006
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2GBV
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![BU of 2gbv by Molmil](/molmil-images/mine/2gbv) | C6A/C111A/C57A/C146A holo CuZn Superoxide dismutase | Descriptor: | COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M. | Deposit date: | 2006-03-11 | Release date: | 2007-01-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase J.Mol.Biol., 365, 2007
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2GCP
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![BU of 2gcp by Molmil](/molmil-images/mine/2gcp) | Crystal structure of the human RhoC-GSP complex | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dias, S.M.G, Cerione, R.A. | Deposit date: | 2006-03-14 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray Crystal Structures Reveal Two Activated States for RhoC. Biochemistry, 46, 2007
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2OE3
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2GHG
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![BU of 2ghg by Molmil](/molmil-images/mine/2ghg) | h-CHK1 complexed with A431994 | Descriptor: | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2006-03-27 | Release date: | 2007-03-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers. Bioorg.Med.Chem.Lett., 16, 2006
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2GHM
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![BU of 2ghm by Molmil](/molmil-images/mine/2ghm) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | Descriptor: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | Deposit date: | 2006-03-27 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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4J8N
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2NX0
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![BU of 2nx0 by Molmil](/molmil-images/mine/2nx0) | Ferrous nitrosyl blackfin tuna myoglobin | Descriptor: | Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Schreiter, E.R, Rodriguez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J. | Deposit date: | 2006-11-16 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | S-nitrosylation-induced conformational change in blackfin tuna myoglobin. J.Biol.Chem., 282, 2007
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2GCH
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6Z1T
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![BU of 6z1t by Molmil](/molmil-images/mine/6z1t) | MAP3K14 (NIK) in complex with 4S/3694 | Descriptor: | 4S/3694, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | Deposit date: | 2020-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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2J05
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6YTD
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![BU of 6ytd by Molmil](/molmil-images/mine/6ytd) | CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTI
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![BU of 6yti by Molmil](/molmil-images/mine/6yti) | CLK1 bound with ETH1610 (Cpd 17) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6Z54
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![BU of 6z54 by Molmil](/molmil-images/mine/6z54) | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | Descriptor: | 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003178 To Be Published
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2O5K
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![BU of 2o5k by Molmil](/molmil-images/mine/2o5k) | Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE, Glycogen synthase kinase-3 beta | Authors: | Shin, D, Lee, S.C, Heo, Y.S, Cho, Y.S, Kim, Y.E, Hyun, Y.L, Cho, J.M, Lee, Y.S, Ro, S. | Deposit date: | 2006-12-06 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta Bioorg.Med.Chem.Lett., 17, 2007
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2J90
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![BU of 2j90 by Molmil](/molmil-images/mine/2j90) | Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6) | Descriptor: | 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ... | Authors: | Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-10-31 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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6YUM
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![BU of 6yum by Molmil](/molmil-images/mine/6yum) | CK2 alpha bound to unclosed Macrocycle | Descriptor: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Hanke, T, Kurz, C, Celik, I, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-27 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor. Eur.J.Med.Chem., 208, 2020
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2J76
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![BU of 2j76 by Molmil](/molmil-images/mine/2j76) | Solution structure and RNA interactions of the RNA recognition motif from eukaryotic translation initiation factor 4B | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4B | Authors: | Fleming, K, Ghuman, J, Yuan, X.M, Simpson, P, Szendroi, A, Matthews, S, Curry, S. | Deposit date: | 2006-10-06 | Release date: | 2008-10-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure and RNA Interactions of the RNA Recognition Motif from Eukaryotic Translation Initiation Factor 4B. Biochemistry, 42, 2003
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