4IBG
 
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.413 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBZ
 | | Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IEJ
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4IF6
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4IBN
 | | Crystal structure of LC9-RNase H1, a type 1 RNase H with the type 2 active-site motif | | Descriptor: | Ribonuclease H | | Authors: | Nguyen, T.-N, You, D.-J, Kanaya, E, Koga, Y, Kanaya, S. | | Deposit date: | 2012-12-09 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of metagenome-derived LC9-RNase H1 with atypical DEDN active site motif
Febs Lett., 587, 2013
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4ICC
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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4IBU
 | | Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R in sequence-specific complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IE0
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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4IE5
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6) | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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4IEM
 | | Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+ | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*C)-3'), DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3'), ... | | Authors: | Tsutakawa, S.E, Mol, C.D, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3936 Å) | | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
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4IGL
 | | Structure of the RHS-repeat containing BC component of the secreted ABC toxin complex from Yersinia entomophaga | | Descriptor: | GLYCEROL, POTASSIUM ION, YenB, ... | | Authors: | Busby, J.N, Panjikar, S, Landsberg, M.J, Hurst, M.R.H, Lott, J.S. | | Deposit date: | 2012-12-17 | | Release date: | 2013-08-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The BC component of ABC toxins is an RHS-repeat-containing protein encapsulation device
Nature, 501, 2013
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3G7N
 | | Crystal Structure of a Triacylglycerol Lipase from Penicillium Expansum at 1.3 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Lipase, PENTAETHYLENE GLYCOL, ... | | Authors: | Bian, C.B, Yuan, C, Chen, L.Q, Edward, J.M, Lin, L, Jiang, L.G, Huang, Z.X, Huang, M.D. | | Deposit date: | 2009-02-10 | | Release date: | 2010-02-23 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of a triacylglycerol lipase from Penicillium expansum at 1.3 A determined by sulfur SAD
Proteins, 78, 2010
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4IJG
 | | Crystal structure of monomeric bacteriophytochrome | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Auldridge, M.E. | | Deposit date: | 2012-12-21 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Origins of fluorescence in evolved bacteriophytochromes.
J.Biol.Chem., 289, 2014
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2PYT
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4IBD
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBW
 | | Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R in sequence-specific complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ... | | Authors: | Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IM7
 | | Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-MANNONIC ACID, Hypothetical oxidoreductase ydfI, ... | | Authors: | Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2013-01-02 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
To be Published
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2Q3L
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4IHY
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4IIT
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4IHW
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2Q7S
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4ILY
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4IK0
 | | Crystal structure of diaminopimelate epimerase Y268A mutant from Escherichia coli | | Descriptor: | Diaminopimelate epimerase, IODIDE ION | | Authors: | Hor, L, Dobson, R.C.J, Hutton, C.A, Perugini, M.A. | | Deposit date: | 2012-12-24 | | Release date: | 2013-02-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Dimerization of bacterial diaminopimelate epimerase is essential for catalysis
J.Biol.Chem., 288, 2013
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4INI
 | | Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Maize, K.M, Wagner, C.R, Finzel, B.C. | | Deposit date: | 2013-01-04 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily.
Febs J., 280, 2013
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