5I8T
| Structure of Mouse Acireductone dioxygenase with Ni2+ ion and D-lactic acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, ISOPROPYL ALCOHOL, LACTIC ACID, ... | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5Y63
| Crystal structure of Enterococcus faecalis AhpC | Descriptor: | Alkyl hydroperoxide reductase, C subunit | Authors: | Pan, A, Balakrishna, A.M, Grueber, G. | Deposit date: | 2017-08-10 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Atomic structure and enzymatic insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit C Free Radic. Biol. Med., 115, 2017
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6TQL
| Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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6TQK
| Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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5I8Y
| Structure of Mouse Acireductone Dioxygenase bound to Co2+ and 2-keto-4-(methylthio)-butyric acid | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, COBALT (II) ION | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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5I93
| Structure of Mouse Acireductone dioxygenase with Ni2+ and 2-ketopentanoic acid in the active site | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, 2-oxopentanoic acid, NICKEL (II) ION | Authors: | Deshpande, A.R, Wagenpfeil, K, Pochapsky, T.C, Petsko, G.A, Ringe, D. | Deposit date: | 2016-02-19 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Metal-Dependent Function of a Mammalian Acireductone Dioxygenase. Biochemistry, 55, 2016
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7LXC
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1A5Y
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7P6S
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6T
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6R
| Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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8F4A
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine | Descriptor: | 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-10 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F55
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614 | Descriptor: | (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F57
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615 | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-12 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F4W
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine | Descriptor: | 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F58
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616 | Descriptor: | (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-12 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F4Z
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F4U
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine | Descriptor: | 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8F51
| Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-11-11 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
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8D1R
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | Descriptor: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D25
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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8D23
| Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2022-05-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity. Eur.J.Med.Chem., 242, 2022
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6NVM
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8FAX
| Fab 1249A8-MERS Stem Helix Complex | Descriptor: | 1249A8-HC, 1249A8-LC, CHLORIDE ION, ... | Authors: | Deshpande, A, Schormann, N, Piepenbrink, M.S, Martinez-Sobrido, L, Kobie, J.J, Walter, M.R. | Deposit date: | 2022-11-28 | Release date: | 2023-05-03 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of beta coronaviruses. Febs J., 290, 2023
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5KDE
| Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | Descriptor: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem. Biol., 11, 2016
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