2ASP
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![BU of 2asp by Molmil](/molmil-images/mine/2asp) | Structure of Rabbit Actin In Complex With Reidispongiolide C | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Allingham, J.S, Zampella, A, D'Auria, M.V, Rayment, I. | Deposit date: | 2005-08-23 | Release date: | 2005-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structures of microfilament destabilizing toxins bound to actin provide insight into toxin design and activity Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XTL
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![BU of 1xtl by Molmil](/molmil-images/mine/1xtl) | Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis. | Descriptor: | COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION | Authors: | Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Viezzoli, M.S, Fantoni, A. | Deposit date: | 2004-10-22 | Release date: | 2005-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis. J.Am.Chem.Soc., 127, 2005
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1LJ3
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![BU of 1lj3 by Molmil](/molmil-images/mine/1lj3) | |
1LJK
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![BU of 1ljk by Molmil](/molmil-images/mine/1ljk) | |
1XTR
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![BU of 1xtr by Molmil](/molmil-images/mine/1xtr) | |
1XUO
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![BU of 1xuo by Molmil](/molmil-images/mine/1xuo) | X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | Descriptor: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | Authors: | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1 Bioorg.Med.Chem.Lett., 15, 2005
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1LF3
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![BU of 1lf3 by Molmil](/molmil-images/mine/1lf3) | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | Descriptor: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | Deposit date: | 2002-04-10 | Release date: | 2002-10-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum. J.Mol.Biol., 327, 2003
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2YDJ
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![BU of 2ydj by Molmil](/molmil-images/mine/2ydj) | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-22 | Release date: | 2012-01-25 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
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1LKE
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1XVM
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2AZB
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![BU of 2azb by Molmil](/molmil-images/mine/2azb) | HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3 | Descriptor: | PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | Deposit date: | 2005-09-09 | Release date: | 2006-02-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3 J.Mol.Biol., 356, 2006
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1XW7
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![BU of 1xw7 by Molmil](/molmil-images/mine/1xw7) | Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Huang, K, Xu, B, Chu, Y.C, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2004-10-29 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Diabetes-associated mutations in human insulin: crystal structure and photo-cross-linking studies of a-chain variant insulin wakayama Biochemistry, 44, 2005
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1LHM
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2AZV
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![BU of 2azv by Molmil](/molmil-images/mine/2azv) | Solution structure of the T22G mutant of N-terminal SH3 domain of DRK (calculated without NOEs) | Descriptor: | SH2-SH3 adapter protein drk | Authors: | Bezsonova, I, Singer, A.U, Choy, W.-Y, Tollinger, M, Forman-Kay, J.D. | Deposit date: | 2005-09-12 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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3FI3
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![BU of 3fi3 by Molmil](/molmil-images/mine/3fi3) | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E, Duckett, D, LoGrasso, P. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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1LP4
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![BU of 1lp4 by Molmil](/molmil-images/mine/1lp4) | Crystal structure of a binary complex of the catalytic subunit of protein kinase CK2 with Mg-AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase CK2 | Authors: | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | Deposit date: | 2002-05-07 | Release date: | 2002-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate. J.Mol.Biol., 347, 2005
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3ULI
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![BU of 3uli by Molmil](/molmil-images/mine/3uli) | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | Deposit date: | 2011-11-10 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
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1LIF
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![BU of 1lif by Molmil](/molmil-images/mine/1lif) | |
1XZ4
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![BU of 1xz4 by Molmil](/molmil-images/mine/1xz4) | Intersubunit Interactions Associated with Tyr42alpha Stabilize the Quaternary-T Tetramer but are not Major Quaternary Constraints in Deoxyhemoglobin: alphaY42A deoxyhemoglobin no-salt | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | Deposit date: | 2004-11-11 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005
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1LJN
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![BU of 1ljn by Molmil](/molmil-images/mine/1ljn) | |
1UTO
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![BU of 1uto by Molmil](/molmil-images/mine/1uto) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, GLYCEROL, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2AIQ
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1LMT
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1HL4
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![BU of 1hl4 by Molmil](/molmil-images/mine/1hl4) | The Structure of Apo Type Human Cu, Zn Superoxide Dismutase | Descriptor: | SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2003-03-13 | Release date: | 2003-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The Structure of Holo and Metal-Deficient Wild-Type Human Cu, Zn Superoxide Dismutase and its Relevance to Familial Amyotrophic Lateral Sclerosis J.Mol.Biol., 328, 2003
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