1WVX
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![BU of 1wvx by Molmil](/molmil-images/mine/1wvx) | Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors | Descriptor: | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Death-associated protein kinase 1 | Authors: | Ueda, Y, Ogata, H, Yamakawa, A, Higuchi, Y. | Deposit date: | 2004-12-27 | Release date: | 2006-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Complex structure of kinase domain of DAP kinase with BDB402 To be Published
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2BYU
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![BU of 2byu by Molmil](/molmil-images/mine/2byu) | Negative stain EM reconstruction of M.tuberculosis Acr1(Hsp 16.3) fitted with wheat sHSP dimer | Descriptor: | HEAT SHOCK PROTEIN 16.9B | Authors: | Kennaway, C.K, Benesch, J.L.P, Gohlke, U, Wang, L, Robinson, C.V, Orlova, E.V, Saibil, H.R, Keep, N.H. | Deposit date: | 2005-08-05 | Release date: | 2005-08-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16.5 Å) | Cite: | Dodecameric Structure of the Small Heat Shock Protein Acr1 from Mycobacterium Tuberculosis. J.Biol.Chem., 280, 2005
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1T32
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![BU of 1t32 by Molmil](/molmil-images/mine/1t32) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1IJR
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![BU of 1ijr by Molmil](/molmil-images/mine/1ijr) | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | Descriptor: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | Authors: | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | Deposit date: | 2001-04-27 | Release date: | 2002-05-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain. Bioorg.Med.Chem.Lett., 11, 2001
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2R9S
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![BU of 2r9s by Molmil](/molmil-images/mine/2r9s) | c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ... | Authors: | Habel, J. | Deposit date: | 2007-09-13 | Release date: | 2007-10-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2CGV
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![BU of 2cgv by Molmil](/molmil-images/mine/2cgv) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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1WBP
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![BU of 1wbp by Molmil](/molmil-images/mine/1wbp) | SRPK1 bound to 9mer docking motif peptide | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MEMBRANE-ASSOCIATED GUANYLATE KINASE, ... | Authors: | Ngo, J.C, Gullinsgrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.-D, Adams, J.A, McCammon, J.A, Ghosh, G. | Deposit date: | 2004-11-04 | Release date: | 2005-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interplay between Srpk and Clk/Sty Kinases in Phosphorylation of the Splicing Factor Asf/Sf2 is Regulated by a Docking Motif in Asf/Sf2 Mol.Cell, 20, 2005
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1WSJ
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![BU of 1wsj by Molmil](/molmil-images/mine/1wsj) | |
1WTB
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![BU of 1wtb by Molmil](/molmil-images/mine/1wtb) | Complex structure of the C-terminal RNA-binding domain of hnRNP D (AUF1) with telomere DNA | Descriptor: | 5'-D(P*TP*AP*GP*G)-3', Heterogeneous nuclear ribonucleoprotein D0 | Authors: | Enokizono, Y, Konishi, Y, Nagata, K, Ouhashi, K, Uesugi, S, Ishikawa, F, Katahira, M. | Deposit date: | 2004-11-22 | Release date: | 2005-04-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of hnRNP D complexed with single-stranded telomere DNA and unfolding of the quadruplex by heterogeneous nuclear ribonucleoprotein D J.Biol.Chem., 280, 2005
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2CGW
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![BU of 2cgw by Molmil](/molmil-images/mine/2cgw) | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | Descriptor: | 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE), SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2006-03-09 | Release date: | 2006-04-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14, 2006
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1INH
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![BU of 1inh by Molmil](/molmil-images/mine/1inh) | INFLUENZA A SUBTYPE N2 NEURAMINIDASE COMPLEXED WITH AROMATIC BANA111 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1995-07-07 | Release date: | 1996-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction. J.Med.Chem., 38, 1995
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2CA0
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![BU of 2ca0 by Molmil](/molmil-images/mine/2ca0) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-12-15 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1) To be Published
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2XK4
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![BU of 2xk4 by Molmil](/molmil-images/mine/2xk4) | Structure of Nek2 bound to aminopyrazine compound 17 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic 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 (2.1 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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2C7X
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![BU of 2c7x by Molmil](/molmil-images/mine/2c7x) | Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-29 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2XK9
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![BU of 2xk9 by Molmil](/molmil-images/mine/2xk9) | Structural analysis of checkpoint kinase 2 (Chk2) in complex with inhibitor PV1533 | Descriptor: | CHECKPOINT KINASE 2, N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Shoemaker, R.H, Pommier, Y, Waugh, D.S. | Deposit date: | 2010-07-07 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy. J.Struct.Biol., 176, 2011
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1WF0
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![BU of 1wf0 by Molmil](/molmil-images/mine/1wf0) | Solution structure of RRM domain in TAR DNA-binding protein-43 | Descriptor: | TAR DNA-binding protein-43 | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-25 | Release date: | 2004-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RRM domain in TAR DNA-binding protein-43 To be Published
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1J17
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![BU of 1j17 by Molmil](/molmil-images/mine/1j17) | |
3S3I
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![BU of 3s3i by Molmil](/molmil-images/mine/3s3i) | p38 kinase crystal structure in complex with small molecule inhibitor | Descriptor: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2011-05-18 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2CL0
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![BU of 2cl0 by Molmil](/molmil-images/mine/2cl0) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTPASE HRAS, MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-25 | Release date: | 2006-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J., 91, 2006
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2CL6
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![BU of 2cl6 by Molmil](/molmil-images/mine/2cl6) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP | Descriptor: | GTPASE HRAS, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-26 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction. Biophys.J., 91, 2006
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1WG1
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![BU of 1wg1 by Molmil](/molmil-images/mine/1wg1) | Solution structure of RNA binding domain in BAB13405(homolog EXC-7) | Descriptor: | KIAA1579 protein | Authors: | Tsuda, K, Muto, Y, Nagata, T, Suzuki, S, Someya, T, Kigawa, T, Terada, T, Shirouzu, M, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-27 | Release date: | 2004-11-27 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of RNA binding domain in BAB13405(homolog EXC-7) To be Published
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8IWM
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![BU of 8iwm by Molmil](/molmil-images/mine/8iwm) | Cryo-EM structure of the PEA-bound mTAAR9 complex | Descriptor: | 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-30 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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1J1C
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![BU of 1j1c by Molmil](/molmil-images/mine/1j1c) | Binary complex structure of human tau protein kinase I with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta. Acta Crystallogr.,Sect.D, 60, 2004
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8IWE
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![BU of 8iwe by Molmil](/molmil-images/mine/8iwe) | Cryo-EM structure of the SPE-mTAAR9 complex | Descriptor: | SPERMIDINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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1IZE
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![BU of 1ize by Molmil](/molmil-images/mine/1ize) | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution. J.Mol.Biol., 326, 2003
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