2VVA
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![BU of 2vva by Molmil](/molmil-images/mine/2vva) | Human carbonic anhydrase in complex with CO2 | Descriptor: | CARBON DIOXIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K. | Deposit date: | 2008-06-04 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Study of X-Ray Induced Activation of Carbonic Anhydrase. Proc.Natl.Acad.Sci.USA, 106, 2009
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3D6H
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2W1G
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![BU of 2w1g by Molmil](/molmil-images/mine/2w1g) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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3DDZ
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3DFJ
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![BU of 3dfj by Molmil](/molmil-images/mine/3dfj) | Crystal structure of human Prostasin | Descriptor: | CHLORIDE ION, Prostasin | Authors: | Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. | Deposit date: | 2008-06-12 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of human prostasin, a target for the regulation of hypertension. J.Biol.Chem., 283, 2008
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2VT0
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![BU of 2vt0 by Molmil](/molmil-images/mine/2vt0) | X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells | Descriptor: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | Authors: | Brumshtein, B, Greenblatt, H.M, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | Deposit date: | 2008-05-03 | Release date: | 2008-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy. Biol.Chem., 389, 2008
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3DE1
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3JVG
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![BU of 3jvg by Molmil](/molmil-images/mine/3jvg) | Crystal Structure of chicken CD1-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Dvir, H, Wang, J, Zajonc, D.M. | Deposit date: | 2009-09-16 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for lipid-antigen recognition in avian immunity. J.Immunol., 184, 2010
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2W1C
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![BU of 2w1c by Molmil](/molmil-images/mine/2w1c) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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2W86
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![BU of 2w86 by Molmil](/molmil-images/mine/2w86) | Crystal structure of fibrillin-1 domains cbEGF9hyb2cbEGF10, calcium saturated form | Descriptor: | CALCIUM ION, FIBRILLIN-1, IODIDE ION | Authors: | Jensen, S.A, Iqbal, S, Lowe, E.D, Redfield, C, Handford, P.A. | Deposit date: | 2009-01-09 | Release date: | 2009-05-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and Interdomain Interactions of a Hybrid Domain: A Disulphide-Rich Module of the Fibrillin/Ltbp Superfamily of Matrix Proteins. Structure, 17, 2009
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3D9Q
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3DE0
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![BU of 3de0 by Molmil](/molmil-images/mine/3de0) | |
2VOM
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![BU of 2vom by Molmil](/molmil-images/mine/2vom) | Structural basis of human triosephosphate isomerase deficiency. Mutation E104D and correlation to solvent perturbation. | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Rodriguez-Almazan, C, Arreola-Alemon, R, Rodriguez-Larrea, D, Aguirre-Lopez, B, de Gomez-Puyou, M.T, Perez-Montfort, R, Costas, M, Gomez-Puyou, A, Torres-Larios, A. | Deposit date: | 2008-02-19 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Human Triosephosphate Isomerase Deficiency: Mutation E104D is Related to Alterations of a Conserved Water Network at the Dimer Interface. J.Biol.Chem., 283, 2008
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3DE2
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2W05
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![BU of 2w05 by Molmil](/molmil-images/mine/2w05) | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3DFL
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![BU of 3dfl by Molmil](/molmil-images/mine/3dfl) | Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid | Descriptor: | 4-carbamimidamidobenzoic acid, Prostasin | Authors: | Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. | Deposit date: | 2008-06-12 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human prostasin, a target for the regulation of hypertension. J.Biol.Chem., 283, 2008
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3DBK
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![BU of 3dbk by Molmil](/molmil-images/mine/3dbk) | Pseudomonas aeruginosa elastase with phosphoramidon | Descriptor: | CALCIUM ION, Elastase, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | Authors: | McKay, D.B, Overgaard, M.T. | Deposit date: | 2008-06-01 | Release date: | 2009-07-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the Elastase of Pseudomonas aeruginosa Complexed with Phosphoramidon To be Published
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2VT5
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![BU of 2vt5 by Molmil](/molmil-images/mine/2vt5) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR | Descriptor: | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE, FRUCTOSE-1,6-BISPHOSPHATASE 1 | Authors: | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T. | Deposit date: | 2008-05-09 | Release date: | 2008-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites. Bioorg.Med.Chem.Lett., 18, 2008
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2WBY
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![BU of 2wby by Molmil](/molmil-images/mine/2wby) | Crystal structure of human insulin-degrading enzyme in complex with insulin | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, INSULIN-DEGRADING ENZYME, ... | Authors: | Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J. | Deposit date: | 2009-03-06 | Release date: | 2009-03-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme. J.Biol.Chem., 284, 2009
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3JRX
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![BU of 3jrx by Molmil](/molmil-images/mine/3jrx) | Crystal structure of the BC domain of ACC2 in complex with soraphen A | Descriptor: | Acetyl-CoA carboxylase 2, SORAPHEN A | Authors: | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | Deposit date: | 2009-09-09 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK. Biochem.Biophys.Res.Commun., 391, 2010
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2WFD
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![BU of 2wfd by Molmil](/molmil-images/mine/2wfd) | Structure of the human cytosolic leucyl-tRNA synthetase editing domain | Descriptor: | LEUCYL-TRNA SYNTHETASE, CYTOPLASMIC | Authors: | Seiradake, E, Mao, W, Hernandez, V, Baker, S.J, Plattner, J.J, Alley, M.R.K, Cusack, S. | Deposit date: | 2009-04-03 | Release date: | 2009-05-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles. J.Mol.Biol., 390, 2009
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2WFT
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![BU of 2wft by Molmil](/molmil-images/mine/2wft) | Crystal structure of the human HIP ectodomain | Descriptor: | CHLORIDE ION, HEDGEHOG-INTERACTING PROTEIN, SODIUM ION | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-15 | Release date: | 2009-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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2WBW
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![BU of 2wbw by Molmil](/molmil-images/mine/2wbw) | Ad37 fibre head in complex with CAR D1 and sialic acid | Descriptor: | CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-03-05 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution. Plos Pathog., 5, 2009
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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