4O7J
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4OL0
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![BU of 4ol0 by Molmil](/molmil-images/mine/4ol0) | Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tsirkone, V.G, Strelkov, S.V. | Deposit date: | 2014-01-23 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran. Acta Crystallogr.,Sect.F, 70, 2014
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3ZLI
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![BU of 3zli by Molmil](/molmil-images/mine/3zli) | Crystal structure of JmjC domain of human histone demethylase UTY | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ... | Authors: | Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2013-01-31 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase. J.Biol.Chem., 289, 2014
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5TCC
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![BU of 5tcc by Molmil](/molmil-images/mine/5tcc) | Complement Factor D inhibited with JH4 | Descriptor: | (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D | Authors: | Stuckey, J.A. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors. ACS Med Chem Lett, 7, 2016
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5TJX
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![BU of 5tjx by Molmil](/molmil-images/mine/5tjx) | Structure of human plasma kallikrein | Descriptor: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein | Authors: | Partridge, J.R, Choy, R.M, Li, Z. | Deposit date: | 2016-10-05 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors. ACS Med Chem Lett, 8, 2017
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3ZOS
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![BU of 3zos by Molmil](/molmil-images/mine/3zos) | Structure of the DDR1 kinase domain in complex with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-02-22 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
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5TEG
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4BLB
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![BU of 4blb by Molmil](/molmil-images/mine/4blb) | Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ... | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BHX
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![BU of 4bhx by Molmil](/molmil-images/mine/4bhx) | Crystal structure of the SCAN domain from human paternally expressed gene 3 protein | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PATERNALLY-EXPRESSED GENE 3 PROTEIN, ... | Authors: | Rimsa, V, Eadsforth, T.C, Hunter, W.N. | Deposit date: | 2013-04-09 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the Scan Domain of Human Paternally Expressed Gene 3 Protein. Plos One, 8, 2013
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4BC4
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![BU of 4bc4 by Molmil](/molmil-images/mine/4bc4) | Crystal structure of human D-xylulokinase in complex with D-xylulose | Descriptor: | 1,2-ETHANEDIOL, D-XYLULOSE, XYLULOSE KINASE | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | Deposit date: | 2012-10-01 | Release date: | 2012-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism J.Biol.Chem., 288, 2013
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4BGG
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![BU of 4bgg by Molmil](/molmil-images/mine/4bgg) | Crystal structure of the ACVR1 kinase in complex with LDN-213844 | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine, ACTIVIN RECEPTOR TYPE-1, ... | Authors: | Sanvitale, C, Canning, P, Cooper, C, Wang, Y, Mohedas, A.H, Choi, S, Yu, P.B, Cuny, G.D, Nowak, R, Coutandin, D, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-26 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure-Activity Relationship of 3,5-Diaryl-2-Aminopyridine Alk2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants. J.Med.Chem., 57, 2014
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4BJZ
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![BU of 4bjz by Molmil](/molmil-images/mine/4bjz) | Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Native data | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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4BIX
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![BU of 4bix by Molmil](/molmil-images/mine/4bix) | Crystal structure of CpxAHDC (monoclinic form 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SENSOR PROTEIN CPXA, ... | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | Deposit date: | 2013-04-13 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4B93
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![BU of 4b93 by Molmil](/molmil-images/mine/4b93) | Complex of Vamp7 cytoplasmic domain with 2nd ankyrin repeat domain of Varp | Descriptor: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7 | Authors: | Schaefer, I.B, Owen, D.J, Luzio, J.P, Evans, P.R. | Deposit date: | 2012-08-31 | Release date: | 2012-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Binding of Varp to Vamp7 Traps Vamp7 in a Closed, Fusogenically Inactive Conformation. Nat.Struct.Mol.Biol., 19, 2012
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4BIZ
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4BJY
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![BU of 4bjy by Molmil](/molmil-images/mine/4bjy) | Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Platinum derivative | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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4BL5
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![BU of 4bl5 by Molmil](/molmil-images/mine/4bl5) | Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose | Descriptor: | 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ... | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2013-05-01 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose To be Published
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4APC
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![BU of 4apc by Molmil](/molmil-images/mine/4apc) | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1 | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-04-02 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Sci Rep, 7, 2017
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5U3I
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![BU of 5u3i by Molmil](/molmil-images/mine/5u3i) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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4MDZ
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![BU of 4mdz by Molmil](/molmil-images/mine/4mdz) | Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FE (III) ION, Metal dependent phosphohydrolase, ... | Authors: | Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF) | Deposit date: | 2013-08-23 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre. Mol.Microbiol., 91, 2014
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4BDX
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4BC5
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![BU of 4bc5 by Molmil](/molmil-images/mine/4bc5) | Crystal structure of human D-xylulokinase in complex with inhibitor 5- deoxy-5-fluoro-D-xylulose | Descriptor: | 1,2-ETHANEDIOL, 5-deoxy-5-fluoro-D-xylulose, XYLULOSE KINASE | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | Deposit date: | 2012-10-01 | Release date: | 2012-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism J.Biol.Chem., 288, 2013
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5VGI
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![BU of 5vgi by Molmil](/molmil-images/mine/5vgi) | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | Hosfield, D.J. | Deposit date: | 2017-04-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
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4AKH
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![BU of 4akh by Molmil](/molmil-images/mine/4akh) | Dynein Motor Domain - AMPPNP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, DYNEIN HEAVY CHAIN CYTOPLASMIC, ... | Authors: | Schmidt, H, Gleave, E.S, Carter, A.P. | Deposit date: | 2012-02-22 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure Nat.Struct.Mol.Biol., 19, 2012
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4OQZ
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![BU of 4oqz by Molmil](/molmil-images/mine/4oqz) | Streptomyces aurantiacus imine reductase | Descriptor: | Putative oxidoreductase YfjR | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | Deposit date: | 2014-02-10 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. CHEMCATCHEM, 2014
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