3QUQ
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![BU of 3quq by Molmil](/molmil-images/mine/3quq) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, an open cap conformation | Descriptor: | CHLORIDE ION, FORMIC ACID, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-24 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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4B2D
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![BU of 4b2d by Molmil](/molmil-images/mine/4b2d) | human PKM2 with L-serine and FBP bound. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | Deposit date: | 2012-07-13 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 491, 2012
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2WG3
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![BU of 2wg3 by Molmil](/molmil-images/mine/2wg3) | Crystal structure of the complex between human hedgehog-interacting protein HIP and desert hedgehog without calcium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DESERT HEDGEHOG PROTEIN N-PRODUCT, ... | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-15 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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2WFT
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![BU of 2wft by Molmil](/molmil-images/mine/2wft) | Crystal structure of the human HIP ectodomain | Descriptor: | CHLORIDE ION, HEDGEHOG-INTERACTING PROTEIN, SODIUM ION | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-15 | Release date: | 2009-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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6HTH
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![BU of 6hth by Molmil](/molmil-images/mine/6hth) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU3
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![BU of 6hu3 by Molmil](/molmil-images/mine/6hu3) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HSF
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![BU of 6hsf by Molmil](/molmil-images/mine/6hsf) | Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051 | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6B8Y
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![BU of 6b8y by Molmil](/molmil-images/mine/6b8y) | |
3TJR
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![BU of 3tjr by Molmil](/molmil-images/mine/3tjr) | |
3I40
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![BU of 3i40 by Molmil](/molmil-images/mine/3i40) | Human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Timofeev, V.I, Bezuglov, V.V, Miroshnikov, K.A, Chuprov-Netochin, R.N, Kuranova, I.P. | Deposit date: | 2009-07-01 | Release date: | 2010-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray investigation of gene-engineered human insulin crystallized from a solution containing polysialic acid. Acta Crystallogr.,Sect.F, 66, 2010
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6AR0
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![BU of 6ar0 by Molmil](/molmil-images/mine/6ar0) | Structure of human SLMAP FHA domain | Descriptor: | Sarcolemmal membrane-associated protein | Authors: | Ni, L, Luo, X. | Deposit date: | 2017-08-21 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK. Elife, 6, 2017
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3RLO
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![BU of 3rlo by Molmil](/molmil-images/mine/3rlo) | Structural Basis of Cytosolic DNA Recognition by Innate Receptors | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Gamma-interferon-inducible protein 16 | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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6HSH
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![BU of 6hsh by Molmil](/molmil-images/mine/6hsh) | Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.545 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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3HW7
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![BU of 3hw7 by Molmil](/molmil-images/mine/3hw7) | High pressure (0.57 GPa) crystal structure of bovine copper, zinc superoxide dismutase at 2.0 angstroms | Descriptor: | COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Ascone, I, Savino, C. | Deposit date: | 2009-06-17 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexibility of the Cu,Zn superoxide dismutase structure investigated at 0.57 GPa Acta Crystallogr.,Sect.D, 66, 2010
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6HT8
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![BU of 6ht8 by Molmil](/molmil-images/mine/6ht8) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3 | Descriptor: | 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-10-03 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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3RU9
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![BU of 3ru9 by Molmil](/molmil-images/mine/3ru9) | |
4M8M
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![BU of 4m8m by Molmil](/molmil-images/mine/4m8m) | |
3I5M
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![BU of 3i5m by Molmil](/molmil-images/mine/3i5m) | Structure of the apo form of leucoanthocyanidin reductase from vitis vinifera | Descriptor: | Putative leucoanthocyanidin reductase 1 | Authors: | Mauge, C, Gargouri, M, d'Estaintot, B.L, Granier, T, Gallois, B. | Deposit date: | 2009-07-06 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure and catalytic mechanism of leucoanthocyanidin reductase from Vitis vinifera. J.Mol.Biol., 397, 2010
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3I6I
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![BU of 3i6i by Molmil](/molmil-images/mine/3i6i) | Structure of the binary complex leucoanthocyanidin reductase - NADPH from vitis vinifera | Descriptor: | ACETIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative leucoanthocyanidin reductase 1 | Authors: | Mauge, C, Gargouri, M, d'Estaintot, B.L, Granier, T, Gallois, B. | Deposit date: | 2009-07-07 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and catalytic mechanism of leucoanthocyanidin reductase from Vitis vinifera. J.Mol.Biol., 397, 2010
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3RUD
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4OJV
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![BU of 4ojv by Molmil](/molmil-images/mine/4ojv) | Crystal structure of unliganded yeast PDE1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | Deposit date: | 2014-01-21 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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3NDO
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![BU of 3ndo by Molmil](/molmil-images/mine/3ndo) | |
3RN5
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![BU of 3rn5 by Molmil](/molmil-images/mine/3rn5) | Structural basis of cytosolic DNA recognition by innate immune receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*AP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*TP*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*G)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RNU
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![BU of 3rnu by Molmil](/molmil-images/mine/3rnu) | Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-22 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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2VRP
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![BU of 2vrp by Molmil](/molmil-images/mine/2vrp) | Structure of rhodocytin | Descriptor: | AGGRETIN ALPHA CHAIN, AGGRETIN BETA CHAIN, CHLORIDE ION, ... | Authors: | Watson, A.A, O'Callaghan, C.A. | Deposit date: | 2008-04-09 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of Rhodocytin, a Ligand for the Platelet-Activating Receptor Clec-2. Protein Sci., 17, 2008
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