8GHX
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![BU of 8ghx by Molmil](/molmil-images/mine/8ghx) | Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis | Descriptor: | 1,2-ETHANEDIOL, Cellulase CelD | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | Deposit date: | 2023-03-13 | Release date: | 2023-05-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis. Appl.Microbiol.Biotechnol., 107, 2023
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8GHY
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![BU of 8ghy by Molmil](/molmil-images/mine/8ghy) | Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose. | Descriptor: | Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | Deposit date: | 2023-03-13 | Release date: | 2023-05-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis. Appl.Microbiol.Biotechnol., 107, 2023
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8U0Q
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![BU of 8u0q by Molmil](/molmil-images/mine/8u0q) | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | Deposit date: | 2023-08-29 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. Acs Bio Med Chem Au, 3, 2023
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6MHM
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![BU of 6mhm by Molmil](/molmil-images/mine/6mhm) | Crystal structure of human acid ceramidase in covalent complex with carmofur | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dementiev, A, Joachimiak, A, Doan, N. | Deposit date: | 2018-09-18 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | Molecular Mechanism of Inhibition of Acid Ceramidase by Carmofur. J. Med. Chem., 62, 2019
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3H5C
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![BU of 3h5c by Molmil](/molmil-images/mine/3h5c) | X-Ray Structure of Protein Z-Protein Z Inhibitor Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Z-dependent protease inhibitor, Vitamin K-dependent protein Z, ... | Authors: | Dementiev, A.A, Huang, X, Olson, S.T, Gettins, P.G.W. | Deposit date: | 2009-04-21 | Release date: | 2010-04-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Basis for the specificity and activation of the serpin protein Z-dependent proteinase inhibitor (ZPI) as an inhibitor of membrane-associated factor Xa. J.Biol.Chem., 285, 2010
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6W0P
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![BU of 6w0p by Molmil](/molmil-images/mine/6w0p) | Putative kojibiose phosphorylase from human microbiome | Descriptor: | Kojibiose phosphorylase | Authors: | Dementiev, A, Osipiuk, J, Endres, M, Wakatsuki, S, Hess, M, Joachimiak, A. | Deposit date: | 2020-03-02 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Putative kojibiose phosphorylase from human microbiome to be published
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6B77
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![BU of 6b77 by Molmil](/molmil-images/mine/6b77) | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | Authors: | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | Deposit date: | 2017-10-03 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors. Blood Adv, 2, 2018
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6B74
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![BU of 6b74 by Molmil](/molmil-images/mine/6b74) | |
1OPH
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![BU of 1oph by Molmil](/molmil-images/mine/1oph) | NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN | Descriptor: | Alpha-1-antitrypsin precursor, Trypsinogen, cationic precursor | Authors: | Dementiev, A, Simonovic, M, Volz, K, Gettins, P.G. | Deposit date: | 2003-03-05 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Canonical inhibitor-like interactions explain reactivity of alpha1-proteinase inhibitor Pittsburgh and antithrombin with proteinases J.Biol.Chem., 278, 2003
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6CB0
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![BU of 6cb0 by Molmil](/molmil-images/mine/6cb0) | Crystal Structure of the FAK FERM domain | Descriptor: | Focal adhesion kinase 1 | Authors: | Dementiev, A, Marlowe, T. | Deposit date: | 2018-02-01 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site. BMC Mol Cell Biol, 20, 2019
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1OO8
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![BU of 1oo8 by Molmil](/molmil-images/mine/1oo8) | |
2D26
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![BU of 2d26 by Molmil](/molmil-images/mine/2d26) | |
1SR5
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![BU of 1sr5 by Molmil](/molmil-images/mine/1sr5) | ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ... | Authors: | Dementiev, A, Petitou, M, Gettins, P.G. | Deposit date: | 2004-03-22 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity. Nat.Struct.Mol.Biol., 11, 2004
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7T88
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![BU of 7t88 by Molmil](/molmil-images/mine/7t88) | Crystal Structure of the C-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, IODIDE ION, ... | Authors: | Kim, Y, Dementiev, A, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-15 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of c from Escherichia coli To Be Published
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7T85
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![BU of 7t85 by Molmil](/molmil-images/mine/7t85) | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Phosphate acetyltransferase, ... | Authors: | Kim, Y, Dementiev, A, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-15 | Release date: | 2021-12-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli To Be Published
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