5QBA
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![BU of 5qba by Molmil](/molmil-images/mine/5qba) | Crystal structure of Endothiapepsin-FRG134 complex | Descriptor: | 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.338 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBM
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![BU of 5qbm by Molmil](/molmil-images/mine/5qbm) | Crystal structure of Endothiapepsin-NAT17-347151 complex | Descriptor: | (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.569 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBE
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![BU of 5qbe by Molmil](/molmil-images/mine/5qbe) | Crystal structure of Endothiapepsin-FRG175 complex | Descriptor: | 1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline, ACETATE ION, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBO
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![BU of 5qbo by Molmil](/molmil-images/mine/5qbo) | Crystal structure of Endothiapepsin-NAT17-347283 complex | Descriptor: | (1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.123 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBI
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![BU of 5qbi by Molmil](/molmil-images/mine/5qbi) | |
5QBT
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![BU of 5qbt by Molmil](/molmil-images/mine/5qbt) | Crystal structure of Endothiapepsin-NAT17-346985 complex | Descriptor: | (1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QB6
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![BU of 5qb6 by Molmil](/molmil-images/mine/5qb6) | |
5QBF
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![BU of 5qbf by Molmil](/molmil-images/mine/5qbf) | Crystal structure of Endothiapepsin-FRG203 complex | Descriptor: | 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol, ACETATE ION, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.268 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBS
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![BU of 5qbs by Molmil](/molmil-images/mine/5qbs) | Crystal structure of Endothiapepsin-NAT17-346976 complex | Descriptor: | (1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QB5
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![BU of 5qb5 by Molmil](/molmil-images/mine/5qb5) | Crystal structure of Endothiapepsin-FRG056 complex | Descriptor: | (1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5QBH
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![BU of 5qbh by Molmil](/molmil-images/mine/5qbh) | Crystal structure of Endothiapepsin-FRG270 complex | Descriptor: | 2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide, ACETATE ION, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.469 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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7PD9
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![BU of 7pd9 by Molmil](/molmil-images/mine/7pd9) | |
7PCP
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![BU of 7pcp by Molmil](/molmil-images/mine/7pcp) | |
5V5Z
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![BU of 5v5z by Molmil](/molmil-images/mine/5v5z) | Structure of CYP51 from the pathogen Candida albicans | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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8OPX
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![BU of 8opx by Molmil](/molmil-images/mine/8opx) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQO
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![BU of 8oqo by Molmil](/molmil-images/mine/8oqo) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49 | Descriptor: | GLYCEROL, Probable fatty oxidation protein FadB, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQL
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![BU of 8oql by Molmil](/molmil-images/mine/8oql) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Hexafluorophosphate anion, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQQ
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![BU of 8oqq by Molmil](/molmil-images/mine/8oqq) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79 | Descriptor: | 2-fluoranyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OPU
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![BU of 8opu by Molmil](/molmil-images/mine/8opu) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OPW
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![BU of 8opw by Molmil](/molmil-images/mine/8opw) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OPY
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![BU of 8opy by Molmil](/molmil-images/mine/8opy) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQS
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![BU of 8oqs by Molmil](/molmil-images/mine/8oqs) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQV
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![BU of 8oqv by Molmil](/molmil-images/mine/8oqv) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQR
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![BU of 8oqr by Molmil](/molmil-images/mine/8oqr) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8OQN
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![BU of 8oqn by Molmil](/molmil-images/mine/8oqn) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53 | Descriptor: | 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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