2C30
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![BU of 2c30 by Molmil](/molmil-images/mine/2c30) | Crystal Structure Of The Human P21-Activated Kinase 6 | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6 | Authors: | Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2005-10-02 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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2BZ5
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![BU of 2bz5 by Molmil](/molmil-images/mine/2bz5) | Structure-based Discovery of a New Class of Hsp90 Inhibitors | Descriptor: | 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Barril, X, Brough, P, Drysdale, M, Hubbard, R.E, Massey, A, Surgenor, A, Wright, L. | Deposit date: | 2005-08-11 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Discovery of a New Class of Hsp90 Inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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2VW8
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![BU of 2vw8 by Molmil](/molmil-images/mine/2vw8) | Crystal Structure of Quinolone signal response protein pqsE from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, FE (II) ION, ... | Authors: | Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Oke, M, Naismith, J.H, White, M.F. | Deposit date: | 2008-06-17 | Release date: | 2010-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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7ZJ4
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![BU of 7zj4 by Molmil](/molmil-images/mine/7zj4) | Ligand bound state of a brocolli-pepper aptamer FRET tile | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | Deposit date: | 2022-04-08 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding To Be Published
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7ZNZ
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![BU of 7znz by Molmil](/molmil-images/mine/7znz) | Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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7ZGL
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![BU of 7zgl by Molmil](/molmil-images/mine/7zgl) | |
7ZO0
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![BU of 7zo0 by Molmil](/molmil-images/mine/7zo0) | Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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7ZLL
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![BU of 7zll by Molmil](/molmil-images/mine/7zll) | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(morpholin-4-ylmethyl)quinolin-8-ol, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Kantsadi, A.L, Chandran, A.V. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint. Iscience, 26, 2023
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2VEV
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![BU of 2vev by Molmil](/molmil-images/mine/2vev) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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4CST
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![BU of 4cst by Molmil](/molmil-images/mine/4cst) | Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | Descriptor: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | Deposit date: | 2014-03-10 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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7ZRR
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![BU of 7zrr by Molmil](/molmil-images/mine/7zrr) | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965 | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ... | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | Deposit date: | 2022-05-05 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965 To Be Published
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7ZRT
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![BU of 7zrt by Molmil](/molmil-images/mine/7zrt) | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 | Descriptor: | 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ... | Authors: | Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L. | Deposit date: | 2022-05-05 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970 To Be Published
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2X0O
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![BU of 2x0o by Molmil](/molmil-images/mine/2x0o) | Apo structure of the Alcaligin biosynthesis protein C (AlcC) from Bordetella bronchiseptica | Descriptor: | ALCALIGIN BIOSYNTHESIS PROTEIN, SULFATE ION | Authors: | Johnson, K.A, Schmelz, S, Kadi, N, Mcmahon, S.A, Oke, M, Liu, H, Carter, L.G, White, M.F, Challis, G.L, Naismith, J.H. | Deposit date: | 2009-12-16 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2X4J
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![BU of 2x4j by Molmil](/molmil-images/mine/2x4j) | Crystal structure of ORF137 from Pyrobaculum spherical virus | Descriptor: | HYPOTHETICAL PROTEIN ORF137 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-02-01 | Release date: | 2010-07-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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4E6P
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2VCF
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![BU of 2vcf by Molmil](/molmil-images/mine/2vcf) | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE FROM SOYBEAN CYTOSOL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2007-09-21 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases. J.Biol.Chem., 283, 2008
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2VEW
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![BU of 2vew by Molmil](/molmil-images/mine/2vew) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | Descriptor: | 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | Deposit date: | 2007-10-27 | Release date: | 2007-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett., 18, 2008
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2X3E
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![BU of 2x3e by Molmil](/molmil-images/mine/2x3e) | Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase III, FabH from Pseudomonas aeruginosa PAO1 | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 3 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-01-24 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2X3L
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![BU of 2x3l by Molmil](/molmil-images/mine/2x3l) | Crystal Structure of the Orn_Lys_Arg decarboxylase family protein SAR0482 from Methicillin-resistant Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, ORN/LYS/ARG DECARBOXYLASE FAMILY PROTEIN, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-01-25 | Release date: | 2010-07-21 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2X5C
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![BU of 2x5c by Molmil](/molmil-images/mine/2x5c) | Crystal structure of hypothetical protein ORF131 from Pyrobaculum Spherical Virus | Descriptor: | GLYCEROL, HYPOTHETICAL PROTEIN ORF131, ZINC ION | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-02-08 | Release date: | 2010-07-21 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genom., 11, 2010
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2X4G
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![BU of 2x4g by Molmil](/molmil-images/mine/2x4g) | Crystal structure of PA4631, a nucleoside-diphosphate-sugar epimerase from Pseudomonas aeruginosa | Descriptor: | NUCLEOSIDE-DIPHOSPHATE-SUGAR EPIMERASE | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-01-30 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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4BCK
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![BU of 4bck by Molmil](/molmil-images/mine/4bck) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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2X5F
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![BU of 2x5f by Molmil](/molmil-images/mine/2x5f) | Crystal structure of the methicillin-resistant Staphylococcus aureus Sar2028, an aspartate_tyrosine_phenylalanine pyridoxal-5'-phosphate dependent aminotransferase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5' PHOSPHATE-DEPENDENT AMINOTRANSFERASE, MAGNESIUM ION, ... | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-02-08 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genom., 11, 2010
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2X5Q
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![BU of 2x5q by Molmil](/molmil-images/mine/2x5q) | Crystal Structure of Hypothetical protein sso1986 from Sulfolobus solfataricus P2 | Descriptor: | SSO1986 | Authors: | Oke, M, Carter, L, Johnson, K.A, Kerou, M, Liu, H, Mcmahon, S, Naismith, J.H, White, M.F. | Deposit date: | 2010-02-10 | Release date: | 2010-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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4ESK
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![BU of 4esk by Molmil](/molmil-images/mine/4esk) | |