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5OIQ
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BU of 5oiq by Molmil
InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one
Descriptor: 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIP
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BU of 5oip by Molmil
InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea
Descriptor: 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OVL
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BU of 5ovl by Molmil
crystal structure of MabA bound to NADP+ from M. smegmatis
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
5OIM
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BU of 5oim by Molmil
InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIF
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BU of 5oif by Molmil
InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine
Descriptor: 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-18
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIL
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BU of 5oil by Molmil
InhA (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
Descriptor: 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5NZ1
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BU of 5nz1 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
Authors:Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L.
Deposit date:2017-05-12
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
7OJT
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BU of 7ojt by Molmil
Crystal structure of unliganded PatA, a membrane associated acyltransferase from Mycobacterium smegmatis
Descriptor: GLYCEROL, Phosphatidylinositol mannoside acyltransferase
Authors:Anso, I, Wang, L, Marina, A, Paez-Perez, E.D, Perrone, S, Lowary, T.L, Trastoy, B, Guerin, M.E.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.67 Å)
Cite:Molecular ruler mechanism and interfacial catalysis of the integral membrane acyltransferase PatA.
Sci Adv, 7, 2021
5OIN
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BU of 5oin by Molmil
InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5NZ0
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BU of 5nz0 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid
Descriptor: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
Authors:Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L.
Deposit date:2017-05-12
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HDF
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BU of 8hdf by Molmil
Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HD4
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BU of 8hd4 by Molmil
Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16
Descriptor: Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate
Authors:Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
Deposit date:2022-11-03
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
7SFM
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BU of 7sfm by Molmil
Mycobacterium tuberculosis Hip1 crystal structure
Descriptor: ACETATE ION, GLYCEROL, Hip1
Authors:Ostrov, D.A, Li, D.
Deposit date:2021-10-04
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
5OEL
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BU of 5oel by Molmil
Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1
Descriptor: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
Authors:Futterer, K, Batt, S.M, Besra, G.S.
Deposit date:2017-07-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
7FDS
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BU of 7fds by Molmil
High resolution crystal structure of LpqH from Mycobacterium tuberculosis
Descriptor: Lipoprotein LpqH
Authors:Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A.
Deposit date:2021-07-17
Release date:2021-12-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface.
Int.J.Biol.Macromol., 210, 2022
7F8C
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BU of 7f8c by Molmil
Crystal structure of rRNA methyltransferase Erm38 in complex with sinefungin
Descriptor: Erm(38), SINEFUNGIN, SUCCINIC ACID
Authors:Goh, B.C, Lescar, J.
Deposit date:2021-07-01
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.
J.Biol.Chem., 298, 2022
7F8B
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BU of 7f8b by Molmil
Crystal structure of rRNA methyltransferase Erm38 in complex with SAM
Descriptor: Erm(38), S-ADENOSYLMETHIONINE, SUCCINIC ACID
Authors:Goh, B.C, Lescar, J.
Deposit date:2021-07-01
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.
J.Biol.Chem., 298, 2022
7F8A
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BU of 7f8a by Molmil
Crystal structure of rRNA methyltransferase Erm38
Descriptor: Erm(38)
Authors:Goh, B.C, Lescar, J.
Deposit date:2021-07-01
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.
J.Biol.Chem., 298, 2022
7P13
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BU of 7p13 by Molmil
2.29 A Mycobacterium tuberculosis EspB.
Descriptor: ESX-1 secretion-associated protein EspB
Authors:Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
Deposit date:2021-07-01
Release date:2021-08-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.29 Å)
Cite:Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
8Q3I
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BU of 8q3i by Molmil
Mycobacterium smegmatis RNA polymerase in complex with HelD, SigA and RbpA in State I
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Koval, T, Krasny, L, Dohnalek, J, Kouba, T.
Deposit date:2023-08-04
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Molecular insights into RNA polymerase recycling by mycobacterial HelD
To Be Published
7QQ7
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BU of 7qq7 by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Levy, C, Kavanagh, M.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
To Be Published
7REY
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BU of 7rey by Molmil
MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM
Descriptor: SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J.
Deposit date:2021-07-13
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
7RF0
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BU of 7rf0 by Molmil
MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE AND MAGNESIUM
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J.
Deposit date:2021-07-13
Release date:2023-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published

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數據於2024-10-16公開中

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