6BZZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bzz by Molmil](/molmil-images/mine/6bzz) | |
6BZQ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bzq by Molmil](/molmil-images/mine/6bzq) | Crystal structure of halogenase PltM in complex with FAD | Descriptor: | BROMIDE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-25 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
|
|
6BZA
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bza by Molmil](/molmil-images/mine/6bza) | Crystal structure of halogenase PltM in complex with phloroglucinol and FAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Halogenase PltM, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
|
|
6BZT
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bzt by Molmil](/molmil-images/mine/6bzt) | Crystal structure of halogenase PltM L111Y mutant in complex with FAD | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-26 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
|
|
6BZN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bzn by Molmil](/molmil-images/mine/6bzn) | |
6BZI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6bzi by Molmil](/molmil-images/mine/6bzi) | Crystal structure of halogenase PltM in complex with ethyl mercury and mercury | Descriptor: | CALCIUM ION, ETHYL MERCURY ION, GLYCEROL, ... | Authors: | Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-12-24 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unusual substrate and halide versatility of phenolic halogenase PltM. Nat Commun, 10, 2019
|
|
4Z74
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4z74 by Molmil](/molmil-images/mine/4z74) | |
4Z70
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4z70 by Molmil](/molmil-images/mine/4z70) | |
4Z73
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4z73 by Molmil](/molmil-images/mine/4z73) | Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with a phosphate ion and an inorganic pyrophosphate | Descriptor: | Inorganic pyrophosphatase, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Pratt, A.C, Biswas, T, Tsodikov, O.V. | Deposit date: | 2015-04-06 | Release date: | 2015-08-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis. J.Struct.Biol., 192, 2015
|
|
4Z71
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4z71 by Molmil](/molmil-images/mine/4z71) | |
4Z72
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4z72 by Molmil](/molmil-images/mine/4z72) | Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with two phosphate ions | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, PHOSPHATE ION | Authors: | Pratt, A.C, Biswas, T, Barnard-Britson, S, Tsodikov, O.V. | Deposit date: | 2015-04-06 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis. J.Struct.Biol., 192, 2015
|
|
6P3T
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6p3t by Molmil](/molmil-images/mine/6p3t) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449 | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
|
|
6P3V
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6p3v by Molmil](/molmil-images/mine/6p3v) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | Descriptor: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
|
|
6P3U
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6p3u by Molmil](/molmil-images/mine/6p3u) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335 | Descriptor: | 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
|
|
6OVX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ovx by Molmil](/molmil-images/mine/6ovx) | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+, P422 form | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | Deposit date: | 2019-05-08 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6OVQ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ovq by Molmil](/molmil-images/mine/6ovq) | Crystal structure of mithramycin 3-side chain keto-reductase MtmW | Descriptor: | GLYCEROL, Putative Side chain reductase | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | Deposit date: | 2019-05-08 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6OW0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ow0 by Molmil](/molmil-images/mine/6ow0) | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MtmW, ... | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | Deposit date: | 2019-05-08 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
8D25
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8d25 by Molmil](/molmil-images/mine/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
|
|
8D1R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8d1r by Molmil](/molmil-images/mine/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
|
|
8D23
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8d23 by Molmil](/molmil-images/mine/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
|
|
8F4Z
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8f4z by Molmil](/molmil-images/mine/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
|
|
8F4T
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8f4t by Molmil](/molmil-images/mine/8f4t) | Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Punetha, A, Pang, A.H, 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 (1.93 Å) | Cite: | Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
|
|
8F57
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8f57 by Molmil](/molmil-images/mine/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
|
|
8F4W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8f4w by Molmil](/molmil-images/mine/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
|
|
8F58
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8f58 by Molmil](/molmil-images/mine/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
|
|