6YPH
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![BU of 6yph by Molmil](/molmil-images/mine/6yph) | Crystal Structure of CK2alpha with Compound 2 bound | Descriptor: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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3F6L
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![BU of 3f6l by Molmil](/molmil-images/mine/3f6l) | Structure of the F4 fimbrial chaperone FaeE | Descriptor: | Chaperone protein faeE | Authors: | Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J. | Deposit date: | 2008-11-06 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces Acta Crystallogr.,Sect.D, 65, 2009
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6YGB
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![BU of 6ygb by Molmil](/molmil-images/mine/6ygb) | Crystal structure of the NatC complex bound to CoA | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ... | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | Deposit date: | 2020-03-27 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates. Nat Commun, 11, 2020
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6P4C
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![BU of 6p4c by Molmil](/molmil-images/mine/6p4c) | HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
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3O74
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![BU of 3o74 by Molmil](/molmil-images/mine/3o74) | Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida | Descriptor: | Fructose transport system repressor FruR, GLYCEROL | Authors: | Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V. | Deposit date: | 2010-07-30 | Release date: | 2011-01-12 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida J.Biol.Chem., 286, 2011
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3O7S
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![BU of 3o7s by Molmil](/molmil-images/mine/3o7s) | Crystal structure of Ru(p-cymene)/apo-Fr | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4-(1-methylethyl)benzene, CADMIUM ION, ... | Authors: | Takezawa, Y, Bockmann, P, Sugi, N, Wang, Z, Abe, S, Murakami, T, Hikage, T, Erker, G, Watanabe, Y, Kitagawa, S, Ueno, T. | Deposit date: | 2010-07-31 | Release date: | 2011-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Incorporation of organometallic Ru complexes into apo-ferritin cage. J.Chem.Soc.,Dalton Trans., 40, 2011
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3FK0
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![BU of 3fk0 by Molmil](/molmil-images/mine/3fk0) | E. coli EPSP synthase (TIPS mutation) liganded with S3P | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | Authors: | Schonbrunn, E. | Deposit date: | 2008-12-15 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
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3F6Q
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![BU of 3f6q by Molmil](/molmil-images/mine/3f6q) | Crystal structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain | Descriptor: | IODIDE ION, Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ... | Authors: | Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2008-11-06 | Release date: | 2008-12-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis of integrin-linked kinase-PINCH interactions. Proc.Natl.Acad.Sci.USA, 105, 2008
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6YPT
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![BU of 6ypt by Molmil](/molmil-images/mine/6ypt) | |
3NRC
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![BU of 3nrc by Molmil](/molmil-images/mine/3nrc) | Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase (NADH), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E. | Deposit date: | 2010-06-30 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan. Acta Crystallogr.,Sect.F, 66, 2010
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3EX7
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![BU of 3ex7 by Molmil](/molmil-images/mine/3ex7) | |
3OAA
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![BU of 3oaa by Molmil](/molmil-images/mine/3oaa) | |
7Q8T
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![BU of 7q8t by Molmil](/molmil-images/mine/7q8t) | Crystal structure of NAMPT bound to ligand TSY535(compound 9a) | Descriptor: | Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators. Acta Pharm Sin B, 13, 2023
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6YLO
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![BU of 6ylo by Molmil](/molmil-images/mine/6ylo) | mTurquoise2 - Directionality of Optical Properties of Fluorescent Proteins | Descriptor: | POTASSIUM ION, TETRAETHYLENE GLYCOL, mTurquoise2_C2221 | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | Deposit date: | 2020-04-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directionality of light absorption and emission in representative fluorescent proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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3NWI
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![BU of 3nwi by Molmil](/molmil-images/mine/3nwi) | |
6YDJ
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![BU of 6ydj by Molmil](/molmil-images/mine/6ydj) | P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with glucose 6-phosphate and trifluoromagnesate | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ... | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
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6P4D
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![BU of 6p4d by Molmil](/molmil-images/mine/6p4d) | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YDK
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![BU of 6ydk by Molmil](/molmil-images/mine/6ydk) | Substrate-free P146A variant of beta-phosphoglucomutase from Lactococcus lactis | Descriptor: | Beta-phosphoglucomutase, MAGNESIUM ION | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
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3F0Q
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![BU of 3f0q by Molmil](/molmil-images/mine/3f0q) | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | Descriptor: | 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | Deposit date: | 2008-10-25 | Release date: | 2009-10-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Predicting resistance mutations using protein design algorithms. Proc.Natl.Acad.Sci.USA, 107, 2010
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7QGJ
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![BU of 7qgj by Molmil](/molmil-images/mine/7qgj) | Apo structure of BIR2 Domain of BIRC2 | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-08 | Release date: | 2022-02-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Apo structure BIR2 Domain of BIRC2 To Be Published
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3OAY
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![BU of 3oay by Molmil](/molmil-images/mine/3oay) | A non-self sugar mimic of the HIV glycan shield shows enhanced antigenicity | Descriptor: | Fab 2G12, heavy chain, light chain, ... | Authors: | Doores, K.J, Fulton, Z, Hong, V, Patel, M.K, Scanlan, C.N, Wormald, M.R, Finn, M.G, Burton, D.R, Wilson, I.A, Davis, B.G. | Deposit date: | 2010-08-05 | Release date: | 2011-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A nonself sugar mimic of the HIV glycan shield shows enhanced antigenicity. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OBR
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![BU of 3obr by Molmil](/molmil-images/mine/3obr) | |
3EYH
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![BU of 3eyh by Molmil](/molmil-images/mine/3eyh) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | Deposit date: | 2008-10-20 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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6YPK
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![BU of 6ypk by Molmil](/molmil-images/mine/6ypk) | Crystal Structure of CK2alpha with GTP bound | Descriptor: | Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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6YHK
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![BU of 6yhk by Molmil](/molmil-images/mine/6yhk) | Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis | Descriptor: | CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | Deposit date: | 2020-03-30 | Release date: | 2020-12-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. Embo J., 40, 2021
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