6VUR
 
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 | | Descriptor: | 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VV3
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 | | Descriptor: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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2YGA
 | | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN | | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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5BQA
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5BPS
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6PLE
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5BQ6
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3WDC
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7RWI
 | | Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | | Descriptor: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Molodtsov, V, Ebright, R.H. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
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3WDE
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3WDD
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5ID2
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7PXC
 | | Substrate-engaged mycobacterial Proteasome-associated ATPase in complex with open-gate 20S CP - composite map (state A) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jomaa, A, Kavalchuk, M, Weber-Ban, E. | | Deposit date: | 2021-10-08 | | Release date: | 2022-01-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
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4U0J
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints | | Descriptor: | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | Deposit date: | 2014-07-11 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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4U0K
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide | | Descriptor: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | Deposit date: | 2014-07-11 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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4UBV
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8HPM
 | | LpqY-SugABC in state 2 | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
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8HPN
 | | LpqY-SugABC in state 3 | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
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8HPS
 | | LpqY-SugABC in state 5 | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
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8HPL
 | | LpqY-SugABC in state 1 | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (4.29 Å) | | Cite: | Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
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8HPR
 | | LpqY-SugABC in state 4 | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
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6S0U
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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6S0T
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide | | Descriptor: | IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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6S0R
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride | | Descriptor: | CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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8OTN
 | | structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | | Descriptor: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | | Deposit date: | 2023-04-21 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
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