5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | Descriptor: | Coumestrol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KRK
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![BU of 5krk by Molmil](/molmil-images/mine/5krk) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | Descriptor: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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2I53
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![BU of 2i53 by Molmil](/molmil-images/mine/2i53) | Crystal structure of Cyclin K | Descriptor: | ACETATE ION, Cyclin K | Authors: | Baek, K, Brown, R.S, Birrane, G, Ladias, J.A.A. | Deposit date: | 2006-08-23 | Release date: | 2007-01-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Human Cyclin K, a Positive Regulator of Cyclin-dependent Kinase 9. J.Mol.Biol., 366, 2007
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2IDH
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![BU of 2idh by Molmil](/molmil-images/mine/2idh) | |
2VIM
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![BU of 2vim by Molmil](/molmil-images/mine/2vim) | X-ray structure of Fasciola hepatica thioredoxin | Descriptor: | THIOREDOXIN | Authors: | Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A. | Deposit date: | 2007-12-05 | Release date: | 2008-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States. Mol.Biochem.Parasitol., 161, 2008
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2VEE
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![BU of 2vee by Molmil](/molmil-images/mine/2vee) | Structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-22 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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2UUF
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![BU of 2uuf by Molmil](/molmil-images/mine/2uuf) | Thrombin-hirugen binary complex at 1.26A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-02 | Release date: | 2007-09-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2V1L
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![BU of 2v1l by Molmil](/molmil-images/mine/2v1l) | Structure of the conserved hypothetical protein VC1805 from pathogenicity island VPI-2 of Vibrio cholerae O1 biovar eltor str. N16961 shares structural homology with the human P32 protein | Descriptor: | HYPOTHETICAL PROTEIN | Authors: | Sheikh, M.A, Potter, J.A, Johnson, K.A, Boyd, E.F, Taylor, G.L. | Deposit date: | 2007-05-25 | Release date: | 2007-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of Vc1805, a Conserved Hypothetical Protein from a Vibrio Cholerae Pathogenicity Island, Reveals Homology to Human P32. Proteins, 71, 2008
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2VEB
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![BU of 2veb by Molmil](/molmil-images/mine/2veb) | High resolution structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | GLYCEROL, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-18 | Release date: | 2008-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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2VW1
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![BU of 2vw1 by Molmil](/molmil-images/mine/2vw1) | Crystal structure of the NanB sialidase from Streptococcus pneumoniae | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, SIALIDASE B | Authors: | Xu, G, Potter, J.A, Russell, R.J.M, Oggioni, M.R, Andrew, P.W, Taylor, G.L. | Deposit date: | 2008-06-13 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal Structure of the Nanb Sialidase from Streptococcus Pneumoniae J.Mol.Biol., 384, 2008
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2W9X
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![BU of 2w9x by Molmil](/molmil-images/mine/2w9x) | The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions | Descriptor: | GLYCEROL, PUTATIVE ACETYL XYLAN ESTERASE | Authors: | Montanier, C, Money, V.A, Pires, V, Flint, J.E, Benedita, P.A, Goyal, A, Prates, J.A, Izumi, A, Stalbrand, H, Morland, C, Cartmell, A, Kolenova, K, Topakas, E, Dobson, E, Bolam, D.N, Davies, G.J, Fontes, C.M, Gilbert, H.J. | Deposit date: | 2009-01-29 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions. Plos Biol., 7, 2009
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2W2B
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![BU of 2w2b by Molmil](/molmil-images/mine/2w2b) | Crystal Structure of single point mutant Tyr20Phe p-coumaric Acid Decarboxylase from Lactobacillus plantarum: structural insights into the active site and decarboxylation catalytic mechanism | Descriptor: | ACETATE ION, ISOPROPYL ALCOHOL, P-COUMARIC ACID DECARBOXYLASE | Authors: | Rodriguez, H, Angulo, I, de las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | Deposit date: | 2008-10-27 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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2VTS
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![BU of 2vts by Molmil](/molmil-images/mine/2vts) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W1D
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![BU of 2w1d by Molmil](/molmil-images/mine/2w1d) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, 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 (2.97 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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2W47
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![BU of 2w47 by Molmil](/molmil-images/mine/2w47) | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2008-11-21 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2W87
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![BU of 2w87 by Molmil](/molmil-images/mine/2w87) | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | Descriptor: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | Authors: | Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2009-01-14 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2VTL
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![BU of 2vtl by Molmil](/molmil-images/mine/2vtl) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W1F
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![BU of 2w1f by Molmil](/molmil-images/mine/2w1f) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, 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 (2.85 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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2VXI
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![BU of 2vxi by Molmil](/molmil-images/mine/2vxi) | The binding of heme and zinc in Escherichia coli Bacterioferritin | Descriptor: | BACTERIOFERRITIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Willies, S.C, Isupov, M.N, Garman, E.F, Littlechild, J.A. | Deposit date: | 2008-07-04 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The Binding of Haem and Zinc in the 1.9 A X-Ray Structure of Escherichia Coli Bacterioferritin. J.Biol.Inorg.Chem., 14, 2009
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2VTT
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![BU of 2vtt by Molmil](/molmil-images/mine/2vtt) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VR6
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![BU of 2vr6 by Molmil](/molmil-images/mine/2vr6) | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-03-28 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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2W2F
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![BU of 2w2f by Molmil](/molmil-images/mine/2w2f) | CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM | Descriptor: | BARIUM ION, P-COUMARIC ACID DECARBOXYLASE | Authors: | Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | Deposit date: | 2008-10-29 | Release date: | 2010-02-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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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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2VR7
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![BU of 2vr7 by Molmil](/molmil-images/mine/2vr7) | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.58 A resolution | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-03-28 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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2WCJ
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![BU of 2wcj by Molmil](/molmil-images/mine/2wcj) | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E,12Z)-tetradecadien-1-ol | Descriptor: | (10E,12Z)-tetradeca-10,12-dien-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | Deposit date: | 2009-03-12 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components. J.Mol.Biol., 389, 2009
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