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9C1V
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BU of 9c1v by Molmil
M. tuberculosis PKS13 acyltransferase (AT) domain in complex with SuFEx inhibitor CMX410
分子名称: N-(1-{3,5-difluoro-4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}-1H-1,2,4-triazol-3-yl)methanesulfonamide, PENTAETHYLENE GLYCOL, Polyketide synthase Pks13, ...
著者Krieger, I.K, Tang, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2024-05-29
公開日2025-05-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献A SuFEx-based TB clinical candidate irreversibly inhibits Pks13
To Be Published
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
著者Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-07-11
公開日2020-07-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
6PK2
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BU of 6pk2 by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P derivative FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide, Propionyl-CoA carboxylase subunit beta
著者Reddy, M.C.M, Nian, Z, Michele, T.C.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Elucidating the Inhibition and specificity of binding of herbicidal aryloxyphenoxypropionates derivatives to Mycobacterium tuberculosis carboxyltransferase domain of acetyl-coenzyme A(AccD6).
To Be Published
3DHY
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BU of 3dhy by Molmil
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
分子名称: 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2008-06-19
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
7SFR
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BU of 7sfr by Molmil
Unmethylated Mtb Ribosome 50S with SEQ-9
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC)
登録日2021-10-04
公開日2022-10-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
5KVU
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BU of 5kvu by Molmil
Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, D-MALATE, GLYCEROL, ...
著者Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2016-07-15
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis
To Be Published
9C1C
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BU of 9c1c by Molmil
Mycobacterium tuberculosis PKS13 acyltransferase serine converted to beta-lactam form by CEC215 via SuFEx reaction
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Tang, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2024-05-29
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mycobacterium tuberculosis PKS13 acyltransferase serine converted to beta-lactam form by CEC215 via SuFEx reaction
To Be Published
9C1D
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BU of 9c1d by Molmil
Mycobaterium tuberculosis Pks13 acyltransferase incubated with DMSO
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Tang, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2024-05-29
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mycobaterium tuberculosis Pks13 acyltransferase incubated with DMSO
To Be Published
3ERE
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BU of 3ere by Molmil
Crystal structure of the arginine repressor protein from Mycobacterium tuberculosis in complex with the DNA operator
分子名称: 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DAP*DAP*DCP*DGP*DAP*DTP*DGP*DCP*DAP*DA)-3', 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DCP*DGP*DTP*DTP*DAP*DTP*DGP*DCP*DAP*DA)-3', Arginine repressor, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2008-10-01
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the arginine repressor protein in complex with the DNA operator from Mycobacterium tuberculosis.
J.Mol.Biol., 384, 2008
3FHZ
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BU of 3fhz by Molmil
Crystal structure of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator and co-repressor, L-arginine
分子名称: 5'-D(*TP*GP*TP*TP*GP*CP*AP*TP*AP*AP*CP*GP*AP*TP*GP*CP*AP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*CP*AP*TP*CP*GP*TP*TP*AP*TP*GP*CP*AP*AP*CP*A)-3', ACETATE ION, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2008-12-10
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献The structure of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator and Co-repressor, L-arginine.
J.Mol.Biol., 388, 2009
6P02
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BU of 6p02 by Molmil
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
分子名称: 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-16
公開日2020-02-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6OZ8
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BU of 6oz8 by Molmil
Crystal structure of Mtb aspartate decarboxylase in active form
分子名称: Aspartate 1 decarboxylase alpha chain, Aspartate 1 decarboxylase beta chain
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-15
公開日2020-02-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6P1Y
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BU of 6p1y by Molmil
Crystal structure of Mtb aspartate decarboxylase mutant M117I
分子名称: AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ...
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-20
公開日2020-02-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6OYY
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BU of 6oyy by Molmil
Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex
分子名称: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID
著者Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2019-05-15
公開日2020-02-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
5KVV
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BU of 5kvv by Molmil
Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2016-07-15
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
To Be Published
3F69
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BU of 3f69 by Molmil
Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720
分子名称: SULFATE ION, Serine/threonine-protein kinase pknB, hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
著者Alber, T, Mieczkowski, C.A, TB Structural Genomics Consortium (TBSGC)
登録日2008-11-05
公開日2008-12-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.
Embo J., 27, 2008
3DBO
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BU of 3dbo by Molmil
Crystal structure of a member of the VapBC family of toxin-antitoxin systems, VapBC-5, from Mycobacterium tuberculosis
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ...
著者Miallau, L, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2008-06-02
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure and Proposed Activity of a Member of the VapBC Family of Toxin-Antitoxin Systems: VapBC-5 FROM MYCOBACTERIUM TUBERCULOSIS.
J.Biol.Chem., 284, 2009
7SVT
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BU of 7svt by Molmil
Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-11-19
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis .
Acs Infect Dis., 8, 2022
3F61
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BU of 3f61 by Molmil
Crystal Structure of M. tuberculosis PknB Leu33Asp/Val222Asp double mutant in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase pknB
著者Mieczkowski, C.A, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2008-11-05
公開日2008-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase.
Embo J., 27, 2008
1Y0H
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BU of 1y0h by Molmil
Structure of Rv0793 from Mycobacterium tuberculosis
分子名称: ACETATE ION, hypothetical protein Rv0793
著者Lemieux, M.J, Ference, C, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2004-11-15
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Rv0793, a hypothetical monooxygenase from M. tuberculosis
J.STRUCT.FUNCT.GENOM., 6, 2005
6WSI
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BU of 6wsi by Molmil
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
分子名称: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2020-05-01
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
1UPI
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BU of 1upi by Molmil
Mycobacterium tuberculosis rmlC epimerase (Rv3465)
分子名称: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE
著者Kim, C.-Y, Naranjo, C, Waldo, G.S, Lekin, T, Segelke, B.W, Kantardjieff, K.A, Zemla, A, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC)
登録日2003-10-05
公開日2003-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mycobacterium Tuberculosis Rmlc Epimerase (Rv3465): A Promising Drug-Target Structure in the Rhamnose Pathway
Acta Crystallogr.,Sect.D, 60, 2004
4XT8
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BU of 4xt8 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT7
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BU of 4xt7 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimethoprim
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XRB
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BU of 4xrb by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis
分子名称: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RV2671
著者Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-20
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016

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件を2025-07-09に公開中

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