2VAG
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![BU of 2vag by Molmil](/molmil-images/mine/2vag) | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | Authors: | Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S. | Deposit date: | 2007-08-31 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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2XKC
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![BU of 2xkc by Molmil](/molmil-images/mine/2xkc) | Structure of Nek2 bound to aminopyrazine compound 14 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic 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 (2.5 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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2XNN
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![BU of 2xnn by Molmil](/molmil-images/mine/2xnn) | Structure of Nek2 bound to CCT242430 | Descriptor: | 1,2-ETHANEDIOL, 5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide, CHLORIDE ION, ... | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-08-05 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
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2XCH
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![BU of 2xch by Molmil](/molmil-images/mine/2xch) | Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, GLYCEROL, ... | Authors: | Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F. | Deposit date: | 2010-04-23 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of Potent Pdk1 Inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1JPO
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![BU of 1jpo by Molmil](/molmil-images/mine/1jpo) | LOW TEMPERATURE ORTHORHOMBIC LYSOZYME | Descriptor: | LYSOZYME | Authors: | Bradbrook, G.M, Helliwell, J.R, Habash, J. | Deposit date: | 1997-07-03 | Release date: | 1997-11-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Time-Resolved Biological and Perturbation Chemical Crystallography: Laue and Monochromatic Developments Time-Resolved Electron and X-Ray Diffraction; 13-14 July 1995, San Diego, California (in: Proc.Spie-Int.Soc.Opt.Eng., V.2521), 1995
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1JIA
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![BU of 1jia by Molmil](/molmil-images/mine/1jia) | |
1S83
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![BU of 1s83 by Molmil](/molmil-images/mine/1s83) | PORCINE TRYPSIN COMPLEXED WITH 4-AMINO PROPANOL | Descriptor: | 4-HYDROXYBUTAN-1-AMINIUM, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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1JCV
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![BU of 1jcv by Molmil](/molmil-images/mine/1jcv) | REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE LOW TEMPERATURE (-180C) STRUCTURE | Descriptor: | COPPER (II) ION, CU/ZN SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Ogihara, N.L, Parge, H.E, Hart, P.J, Weiss, M.S, Valentine, J.S, Eisenberg, D.S, Tainer, J.A. | Deposit date: | 1995-12-07 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase. Biochemistry, 35, 1996
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1JIM
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1JHL
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![BU of 1jhl by Molmil](/molmil-images/mine/1jhl) | THREE-DIMENSIONAL STRUCTURE OF A HETEROCLITIC ANTIGEN-ANTIBODY CROSS-REACTION COMPLEX | Descriptor: | IGG1-KAPPA D11.15 FV (HEAVY CHAIN), IGG1-KAPPA D11.15 FV (LIGHT CHAIN), PHEASANT EGG WHITE LYSOZYME | Authors: | Chitarra, V, Alzari, P.M, Bentley, G.A, Bhat, T.N, Eisele, J.-L, Poljak, R.J. | Deposit date: | 1993-05-04 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex. Proc.Natl.Acad.Sci.USA, 90, 1993
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1JRT
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![BU of 1jrt by Molmil](/molmil-images/mine/1jrt) | |
1JRS
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![BU of 1jrs by Molmil](/molmil-images/mine/1jrs) | |
3FYK
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![BU of 3fyk by Molmil](/molmil-images/mine/3fyk) | Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) | Descriptor: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2 | Authors: | Kurumbail, R.G, Caspers, N. | Deposit date: | 2009-01-22 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg.Med.Chem.Lett., 19, 2009
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1K58
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![BU of 1k58 by Molmil](/molmil-images/mine/1k58) | Crystal Structure of Human Angiogenin Variant D116H | Descriptor: | Angiogenin | Authors: | Leonidas, D.D, Shapiro, R, Subbarao, G.V, Russo, A, Acharya, K.R. | Deposit date: | 2001-10-10 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies on the role of the C-terminal segment of human angiogenin in defining enzymatic potency. Biochemistry, 41, 2002
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1K6T
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![BU of 1k6t by Molmil](/molmil-images/mine/1k6t) | LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE | Descriptor: | ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein | Authors: | Schiffer, C.A. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
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3VBV
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1VRE
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![BU of 1vre by Molmil](/molmil-images/mine/1vre) | SOLUTION STRUCTURE OF COMPONENT IV GLYCERA DIBRANCHIATA MONOMERIC HEMOGLOBIN-CO | Descriptor: | CARBON MONOXIDE, PROTEIN (GLOBIN, MONOMERIC COMPONENT M-IV), ... | Authors: | Volkman, B.F, Alam, S.L, Satterlee, J.D, Markley, J.L. | Deposit date: | 1999-03-25 | Release date: | 1999-04-02 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of component IV Glycera dibranchiata monomeric hemoglobin-CO. Biochemistry, 37, 1998
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2XEY
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![BU of 2xey by Molmil](/molmil-images/mine/2xey) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2DGU
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![BU of 2dgu by Molmil](/molmil-images/mine/2dgu) | Solution structure of the RNA binding domain in Heterogeneous nuclear ribonucleoprotein Q | Descriptor: | Heterogeneous nuclear ribonucleoprotein Q | Authors: | Abe, C, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-15 | Release date: | 2006-09-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RNA binding domain in Heterogeneous nuclear ribonucleoprotein Q To be Published
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2XM9
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![BU of 2xm9 by Molmil](/molmil-images/mine/2xm9) | Structure of a small molecule inhibitor with the kinase domain of Chk2 | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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2DH7
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![BU of 2dh7 by Molmil](/molmil-images/mine/2dh7) | Solution structure of the second RNA binding domain in Nucleolysin TIAR | Descriptor: | Nucleolysin TIAR | Authors: | Imai, T, Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-23 | Release date: | 2006-09-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second RNA binding domain in Nucleolysin TIAR To be Published
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2DUJ
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![BU of 2duj by Molmil](/molmil-images/mine/2duj) | Crystal structure of the complex formed between proteinase K and a synthetic peptide Leu-Leu-Phe-Asn-Asp at 1.67 A resolution | Descriptor: | CALCIUM ION, LLFND, NITRATE ION, ... | Authors: | Singh, A.K, Singh, N, Somvanshi, R.K, Gupta, D, Sharma, S, Singh, T.P. | Deposit date: | 2006-07-23 | Release date: | 2006-08-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution To be Published
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3GI3
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![BU of 3gi3 by Molmil](/molmil-images/mine/3gi3) | Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | Authors: | Qian, K.C. | Deposit date: | 2009-03-05 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2DJ3
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![BU of 2dj3 by Molmil](/molmil-images/mine/2dj3) | The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4 | Descriptor: | Protein disulfide-isomerase A4 | Authors: | Tochio, N, Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-30 | Release date: | 2006-09-30 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4 To be Published
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3GGF
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![BU of 3ggf by Molmil](/molmil-images/mine/3ggf) | Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin | Descriptor: | CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE | Authors: | Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural comparison of human mammalian ste20-like kinases Plos One, 5, 2010
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