4U2X
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![BU of 4u2x by Molmil](/molmil-images/mine/4u2x) | Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus | Descriptor: | CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24 | Authors: | Xu, W, Leung, D, Borek, D, Amarasinghe, G. | Deposit date: | 2014-07-18 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1. Cell Host Microbe, 16, 2014
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7CBO
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![BU of 7cbo by Molmil](/molmil-images/mine/7cbo) | Crystal structure of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL, ... | Authors: | Xu, W, Wang, M, Zhang, M. | Deposit date: | 2020-06-13 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and biochemical analyses of beta-N-acetylhexosaminidase Am0868 from Akkermansia muciniphila involved in mucin degradation. Biochem.Biophys.Res.Commun., 529, 2020
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7CBN
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2SRC
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![BU of 2src by Molmil](/molmil-images/mine/2src) | CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TYROSINE-PROTEIN KINASE SRC | Authors: | Xu, W, Doshi, A, Lei, M, Eck, M.J, Harrison, S.C. | Deposit date: | 1998-12-29 | Release date: | 1999-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of c-Src reveal features of its autoinhibitory mechanism. Mol.Cell, 3, 1999
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1FMK
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1PDN
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![BU of 1pdn by Molmil](/molmil-images/mine/1pdn) | CRYSTAL STRUCTURE OF A PAIRED DOMAIN-DNA COMPLEX AT 2.5 ANGSTROMS RESOLUTION REVEALS STRUCTURAL BASIS FOR PAX DEVELOPMENTAL MUTATIONS | Descriptor: | DNA (5'-D(*AP*AP*CP*GP*TP*CP*AP*CP*GP*GP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*AP*AP*CP*CP*GP*TP*GP*AP*CP*G)-3'), PROTEIN (PRD PAIRED) | Authors: | Xu, W, Rould, M.A, Jun, S, Desplan, C, Pabo, C.O. | Deposit date: | 1995-05-16 | Release date: | 1995-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a paired domain-DNA complex at 2.5 A resolution reveals structural basis for Pax developmental mutations. Cell(Cambridge,Mass.), 80, 1995
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5BXO
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![BU of 5bxo by Molmil](/molmil-images/mine/5bxo) | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 | Descriptor: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole), DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | Deposit date: | 2015-06-09 | Release date: | 2016-06-29 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.334 Å) | Cite: | Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase. J.Am.Chem.Soc., 139, 2017
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5BXU
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![BU of 5bxu by Molmil](/molmil-images/mine/5bxu) | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5 | Descriptor: | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole), CHLORIDE ION, Tankyrase-2, ... | Authors: | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | Deposit date: | 2015-06-09 | Release date: | 2016-06-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n4m5 to be published
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5VAP
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![BU of 5vap by Molmil](/molmil-images/mine/5vap) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | Minor nucleoprotein VP30, NP | Authors: | XU, W, WU, C, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
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5VAO
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![BU of 5vao by Molmil](/molmil-images/mine/5vao) | Crystal structure of eVP30 C-terminus and eNP peptide | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | XU, W, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2017-03-27 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis. Nat Commun, 8, 2017
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3ELO
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![BU of 3elo by Molmil](/molmil-images/mine/3elo) | Crystal Structure of Human Pancreatic Prophospholipase A2 | Descriptor: | Phospholipase A2, SULFATE ION | Authors: | Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J. | Deposit date: | 2008-09-22 | Release date: | 2009-04-14 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into the activation mechanism of human pancreatic prophospholipase A2 J.Biol.Chem., 284, 2009
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7EHR
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![BU of 7ehr by Molmil](/molmil-images/mine/7ehr) | Levansucrase from Brenneria sp. EniD 312 at 1.33 angstroms resolution | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Xu, W, Ni, D.W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | Deposit date: | 2021-03-30 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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7EHS
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![BU of 7ehs by Molmil](/molmil-images/mine/7ehs) | Levansucrase from Brenneria sp. EniD 312 | Descriptor: | GLYCEROL, Levansucrase, NONAETHYLENE GLYCOL, ... | Authors: | Xu, W, Ni, D.W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | Deposit date: | 2021-03-30 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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7EHT
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![BU of 7eht by Molmil](/molmil-images/mine/7eht) | Levansucrase from Brenneria sp. EniD 312 | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, Levansucrase, ... | Authors: | Xu, W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | Deposit date: | 2021-03-30 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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7FDZ
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![BU of 7fdz by Molmil](/molmil-images/mine/7fdz) | Levansucrase from Brenneria sp. EniD 312 with sucrose | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Xu, W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | Deposit date: | 2021-07-19 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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4FLL
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![BU of 4fll by Molmil](/molmil-images/mine/4fll) | Human MetAP1 with bengamide analog YZ6, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | Authors: | Ye, Q.Z, Xu, W. | Deposit date: | 2012-06-14 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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4FLK
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![BU of 4flk by Molmil](/molmil-images/mine/4flk) | Human MetAP1 with bengamide analog Y10, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | Authors: | Ye, Q.Z, Xu, W. | Deposit date: | 2012-06-14 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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4FLI
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![BU of 4fli by Molmil](/molmil-images/mine/4fli) | Human MetAP1 with bengamide analog Y16, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | Authors: | Ye, Q.Z, Xu, W. | Deposit date: | 2012-06-14 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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4FLJ
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![BU of 4flj by Molmil](/molmil-images/mine/4flj) | Human MetAP1 with bengamide analog Y08, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | Authors: | Ye, Q.Z, Xu, W. | Deposit date: | 2012-06-14 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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3L1B
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![BU of 3l1b by Molmil](/molmil-images/mine/3l1b) | Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound | Descriptor: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor | Authors: | Xu, W, Lundquist, J.T. | Deposit date: | 2009-12-11 | Release date: | 2010-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates. J.Med.Chem., 53, 2010
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2ZN7
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![BU of 2zn7 by Molmil](/molmil-images/mine/2zn7) | CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wu, J. | Deposit date: | 2008-04-22 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
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2ZMM
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![BU of 2zmm by Molmil](/molmil-images/mine/2zmm) | Crystal structure of PTP1B-inhibitor complex | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Xu, W, Wu, J. | Deposit date: | 2008-04-19 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
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2ZM3
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![BU of 2zm3 by Molmil](/molmil-images/mine/2zm3) | Complex Structure of Insulin-like Growth Factor Receptor and Isoquinolinedione Inhibitor | Descriptor: | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione, Insulin-like growth factor 1 receptor | Authors: | Xu, W, Mayer, S.C, Boschelli, F, Johnson, M, Dwyer, B. | Deposit date: | 2008-04-10 | Release date: | 2008-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment Bioorg.Med.Chem.Lett., 18, 2008
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3F5P
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![BU of 3f5p by Molmil](/molmil-images/mine/3f5p) | Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor | Descriptor: | 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile, Insulin-like growth factor 1 receptor | Authors: | Xu, W, Miller, L.M, Mayer, S.C, Berger, D.M, Boschelli, D.H, Boschelli, F. | Deposit date: | 2008-11-04 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment Bioorg.Med.Chem.Lett., 19, 2009
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3PUR
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![BU of 3pur by Molmil](/molmil-images/mine/3pur) | CEKDM7A from C.Elegans, complex with D-2-HG | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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