1IXV
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![BU of 1ixv by Molmil](/molmil-images/mine/1ixv) | Crystal Structure Analysis of homolog of oncoprotein gankyrin, an interactor of Rb and CDK4/6 | Descriptor: | Probable 26S proteasome regulatory subunit p28 | Authors: | Padmanabhan, B, Adachi, N, Kataoka, K, Horikoshi, M. | Deposit date: | 2002-07-09 | Release date: | 2003-12-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the homolog of the oncoprotein gankyrin, an interactor of Rb and CDK4/6 J.BIOL.CHEM., 279, 2004
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3H10
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![BU of 3h10 by Molmil](/molmil-images/mine/3h10) | Aurora A inhibitor complex | Descriptor: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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1WJ3
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![BU of 1wj3 by Molmil](/molmil-images/mine/1wj3) | Solution structure of the fourth fn3 domain of KIAA1496 protein | Descriptor: | KIAA1496 protein | Authors: | Inoue, K, Nagashima, T, Tochio, N, Kigawa, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-28 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the fourth fn3 domain of KIAA1496 protein To be Published
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1SSX
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![BU of 1ssx by Molmil](/molmil-images/mine/1ssx) | |
1WBV
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![BU of 1wbv by Molmil](/molmil-images/mine/1wbv) | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
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2C1A
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![BU of 2c1a by Molmil](/molmil-images/mine/2c1a) | Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | Authors: | Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E. | Deposit date: | 2005-09-12 | Release date: | 2005-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. Bioorg. Med. Chem., 14, 2006
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2BZA
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![BU of 2bza by Molmil](/molmil-images/mine/2bza) | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE | Descriptor: | BENZYLAMINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | Deposit date: | 1999-03-16 | Release date: | 1999-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. Proteins, 37, 1999
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1WCC
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![BU of 1wcc by Molmil](/molmil-images/mine/1wcc) | Screening for fragment binding by X-ray crystallography | Descriptor: | 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M. | Deposit date: | 2004-11-12 | Release date: | 2005-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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1WMK
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![BU of 1wmk by Molmil](/molmil-images/mine/1wmk) | |
2XK3
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![BU of 2xk3 by Molmil](/molmil-images/mine/2xk3) | Structure of Nek2 bound to Aminopyrazine compound 35 | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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1J8E
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![BU of 1j8e by Molmil](/molmil-images/mine/1j8e) | Crystal structure of ligand-binding repeat CR7 from LRP | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN 1 | Authors: | Simonovic, M, Dolmer, K, Huang, W, Strickland, D.K, Volz, K, Gettins, P.G.W. | Deposit date: | 2001-05-21 | Release date: | 2001-12-19 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Calcium coordination and pH dependence of the calcium affinity of ligand-binding repeat CR7 from the LRP. Comparison with related domains from the LRP and the LDL receptor. Biochemistry, 40, 2001
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2C6E
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![BU of 2c6e by Molmil](/molmil-images/mine/2c6e) | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | Descriptor: | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | Deposit date: | 2005-11-09 | Release date: | 2006-01-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2BHK
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![BU of 2bhk by Molmil](/molmil-images/mine/2bhk) | Crystal structure of human growth and differentiation factor 5 (GDF5) | Descriptor: | GROWTH DIFFERENTIATION FACTOR 5, ISOPROPYL ALCOHOL | Authors: | Schreuder, H, Liesum, A, Pohl, J, Kruse, M, Koyama, M. | Deposit date: | 2005-01-12 | Release date: | 2005-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Recombinant Human Growth Differentiation Factor 5. Evidence for Interaction of the Type I and Type II Receptor Binding Sites. Biochem.Biophys.Res.Commun., 329, 2005
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2C2H
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![BU of 2c2h by Molmil](/molmil-images/mine/2c2h) | CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Debreczeni, J.E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, von Delft, F, Doyle, D, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-09-29 | Release date: | 2005-10-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Human Rac3 in Complex with Gdp To be Published
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2C5Y
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![BU of 2c5y by Molmil](/molmil-images/mine/2c5y) | DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN | Descriptor: | CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2005-11-03 | Release date: | 2006-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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2XJ0
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![BU of 2xj0 by Molmil](/molmil-images/mine/2xj0) | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | Descriptor: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1IDO
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![BU of 1ido by Molmil](/molmil-images/mine/1ido) | I-DOMAIN FROM INTEGRIN CR3, MG2+ BOUND | Descriptor: | INTEGRIN, MAGNESIUM ION | Authors: | Lee, J.-O, Liddington, R. | Deposit date: | 1996-03-12 | Release date: | 1996-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the A domain from the alpha subunit of integrin CR3 (CD11b/CD18). Cell(Cambridge,Mass.), 80, 1995
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1WI3
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![BU of 1wi3 by Molmil](/molmil-images/mine/1wi3) | Solution structure of the homeodomain of KIAA1034 protein | Descriptor: | DNA-binding protein SATB2 | Authors: | Izumi, K, Yoshida, M, Hayashi, F, Hatta, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-28 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the homeodomain of KIAA1034 protein TO BE PUBLISHED
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1WSH
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![BU of 1wsh by Molmil](/molmil-images/mine/1wsh) | |
3SV0
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![BU of 3sv0 by Molmil](/molmil-images/mine/3sv0) | |
1WKR
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![BU of 1wkr by Molmil](/molmil-images/mine/1wkr) | Crystal structure of aspartic proteinase from Irpex lacteus | Descriptor: | Polyporopepsin, SULFATE ION, pepstatin | Authors: | Fujimoto, Z, Fujii, Y, Kaneko, S, Kobayashi, H, Mizuno, H. | Deposit date: | 2004-06-02 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of Aspartic Proteinase from Irpex lacteus in Complex with Inhibitor Pepstatin J.Mol.Biol., 341, 2004
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2BPD
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![BU of 2bpd by Molmil](/molmil-images/mine/2bpd) | STRUCTURE OF MURINE DECTIN-1 | Descriptor: | 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: | 2006-08-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications for Function. Protein Sci., 16, 2007
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1IP3
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![BU of 1ip3 by Molmil](/molmil-images/mine/1ip3) | G68A HUMAN LYSOZYME | Descriptor: | LYSOZYME C, SODIUM ION, SULFATE ION | Authors: | Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2001-04-20 | Release date: | 2001-11-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein. Proteins, 45, 2001
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2BPH
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![BU of 2bph by Molmil](/molmil-images/mine/2bph) | STRUCTURE OF MURINE DECTIN-1 | Descriptor: | DECTIN-1, MAGNESIUM ION | 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 (2.2 Å) | Cite: | Structure of the Fungal Beta-Glucan-Binding Immune Receptor Dectin-1: Implications for Function. Protein Sci., 16, 2007
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2BPU
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![BU of 2bpu by Molmil](/molmil-images/mine/2bpu) | The Kedge Holmium Derivative of Hen Egg-White Lysozyme at high resolution from Single Wavelength Anomalous Diffraction | Descriptor: | CHLORIDE ION, HOLMIUM ATOM, LYSOZYME C, ... | Authors: | Jakoncic, J, Di Michiel, M, Zhong, Z, Honkimaki, V, Jouanneau, Y, Stojanoff, V. | Deposit date: | 2005-04-25 | Release date: | 2006-08-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography. J.Appl.Crystallogr., 39, 2006
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