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7NOT
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BU of 7not by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) and 5-Methoxy-3-indoleacetic acid
分子名称: (5-methoxy-1H-indol-3-yl)acetic acid, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NM0
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BU of 7nm0 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(2,6-dihydroxyphenyl)ethan-1-one.
分子名称: 1,2-ETHANEDIOL, 1-[2,6-bis(oxidanyl)phenyl]ethanone, Acetylglutamate kinase, ...
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-23
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNI
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BU of 7nni by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC apoenzyme
分子名称: N-acetyl-gamma-glutamyl-phosphate reductase
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOR
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BU of 7nor by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile.
分子名称: 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NN7
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BU of 7nn7 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with dimethyl 5-hydroxyisophthalate.
分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION, ...
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.172 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNW
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BU of 7nnw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate.
分子名称: Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLW
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BU of 7nlw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile
分子名称: 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOV
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BU of 7nov by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid.
分子名称: (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-26
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLF
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BU of 7nlf by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in apo form.
分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLU
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BU of 7nlu by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one
分子名称: 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
5E0N
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BU of 5e0n by Molmil
Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis
分子名称: Enoyl-CoA hydratase/isomerase
著者Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R.
登録日2015-09-29
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
7LD8
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BU of 7ld8 by Molmil
Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
分子名称: 1,2-ETHANEDIOL, Putative non-heme bromoperoxidase BpoC, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-12
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
to be published
8J5R
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BU of 8j5r by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state
分子名称: IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
8J5Q
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BU of 8j5q by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state
分子名称: Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
1GX3
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BU of 1gx3 by Molmil
M. smegmatis arylamine N-acetyl transferase
分子名称: ARYLAMINE N-ACETYLTRANSFERASE
著者Sandy, J, Mushtaq, A, Kawamura, A, Sinclair, J, Sim, E, Noble, M.
登録日2002-03-26
公開日2002-06-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of Arylamine N-Acetyltransferase from Mycobacterium Smegmatis-an Enzyme which Inactivates the Anti-Tubercular Drug, Isoniazid
J.Mol.Biol., 318, 2002
3HRH
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BU of 3hrh by Molmil
Crystal Structure of Antigen 85C and Glycerol
分子名称: Antigen 85-C, GLYCEROL
著者Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R.
登録日2009-06-09
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
6DZS
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BU of 6dzs by Molmil
Mycobacterial homoserine dehydrogenase ThrA in complex with NADP
分子名称: Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chaton, C.T, Rodriguez, E.S, Korotkov, K.V.
登録日2018-07-05
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of mycobacterial homoserine dehydrogenase ThrA
To be Published
6VVX
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BU of 6vvx by Molmil
Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin
分子名称: DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Campbell, E.A, Darst, S.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8J57
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BU of 8j57 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with bedaquiline(BDQ)
分子名称: ATP synthase subunit a, ATP synthase subunit c, Bedaquiline
著者Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
登録日2023-04-21
公開日2024-05-01
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8J58
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BU of 8j58 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form
分子名称: ATP synthase subunit a, ATP synthase subunit c
著者Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
登録日2023-04-21
公開日2024-05-01
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
1H0S
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BU of 1h0s by Molmil
3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with 3-hydroxyimino-quinic acid
分子名称: 3-DEHYDROQUINATE DEHYDRATASE, 3-HYDROXYIMINO QUINIC ACID, GLYCEROL, ...
著者Roszak, A.W, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J.
登録日2002-06-27
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Specificity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
7X8X
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BU of 7x8x by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
分子名称: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
著者Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
登録日2022-03-15
公開日2023-04-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
2NSD
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BU of 2nsd by Molmil
Enoyl acyl carrier protein reductase InhA in complex with N-(4-methylbenzoyl)-4-benzylpiperidine
分子名称: Enoyl-[acyl-carrier-protein] reductase, N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者He, X, Alian, A, Ortiz de Montellano, P.R.
登録日2006-11-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides.
Bioorg.Med.Chem., 15, 2007
1H0R
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BU of 1h0r by Molmil
Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid
分子名称: 2,3 -ANHYDRO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Roszak, A.W, Robinson, D.A, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J.
登録日2002-06-27
公開日2003-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Selectivity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
8JR1
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BU of 8jr1 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587
分子名称: (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ATP synthase subunit a, ATP synthase subunit c
著者Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
登録日2023-06-15
公開日2024-05-01
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024

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件を2024-10-16に公開中

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