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4XT7
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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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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
4XT6
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BU of 4xt6 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (THF)
分子名称: (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
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 (1.85 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
4XEW
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BU of 4xew by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Finzel, B.C, Dai, R.
登録日2014-12-25
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XT5
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BU of 4xt5 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-22
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.13 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
3O6T
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BU of 3o6t by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464
分子名称: 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one, TRIETHYLENE GLYCOL, Thioredoxin
著者Hall, G, Emsley, J.
登録日2010-07-29
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
3ORI
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BU of 3ori by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 1)
分子名称: MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Lombana, T.N, Echols, N, Good, M.C, Thomsen, N.D, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknB.
Structure, 18, 2010
3ORO
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Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 4)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknB.
Structure, 18, 2010
3ORM
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BU of 3orm by Molmil
Mycobacterium tuberculosis PknB kinase domain D76A mutant
分子名称: MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknB.
Structure, 18, 2010
4WYA
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BU of 4wya by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit
分子名称: 5-(pyridin-2-yl)thiophene-2-carboxamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Finzel, B.C, Dai, D, Geders, T.W.
登録日2014-11-17
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4WYD
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BU of 4wyd by Molmil
Adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Mycobacterium tuberculosis complexed with a fragment from DSF screening
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Dai, R, Finzel, B.C, Geders, T.W.
登録日2014-11-17
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4X0E
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BU of 4x0e by Molmil
Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION
著者Zuccola, H.J, Ostermna, A.L.
登録日2014-11-21
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
3N8N
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BU of 3n8n by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6
分子名称: (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-28
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
1M44
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BU of 1m44 by Molmil
Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-APO Structure
分子名称: Aminoglycoside 2'-N-acetyltransferase, SULFATE ION
著者Vetting, M.W, Hegde, S.S, Javid-Majd, F, Blanchard, J.S, Roderick, S.L.
登録日2002-07-02
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates.
Nat.Struct.Biol., 9, 2002
3N7A
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BU of 3n7a by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2
分子名称: 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-26
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
4Z72
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BU of 4z72 by Molmil
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with two phosphate ions
分子名称: CALCIUM ION, Inorganic pyrophosphatase, PHOSPHATE ION
著者Pratt, A.C, Biswas, T, Barnard-Britson, S, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
4Z74
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Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inorganic pyrophosphate
分子名称: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-
著者Pratt, A.C, Biswas, T, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
4Z71
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Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Mg ions
分子名称: Inorganic pyrophosphatase, MAGNESIUM ION
著者Pratt, A.C, Biswas, T, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
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
3PNB
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BU of 3pnb by Molmil
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with coenzyme A
分子名称: COENZYME A, Phosphopantetheine adenylyltransferase
著者Wubben, T.J, Mesecar, A.D.
登録日2010-11-18
公開日2011-06-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure of Mycobacterium tuberculosisphosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation.
Acta Crystallogr.,Sect.F, 67, 2011
4Z70
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BU of 4z70 by Molmil
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Ca ions
分子名称: CALCIUM ION, Inorganic pyrophosphatase
著者Pratt, A.C, Biswas, T, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
4Z73
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BU of 4z73 by Molmil
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with a phosphate ion and an inorganic pyrophosphate
分子名称: Inorganic pyrophosphatase, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Pratt, A.C, Biswas, T, Tsodikov, O.V.
登録日2015-04-06
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and computational dissection of the catalytic mechanism of the inorganic pyrophosphatase from Mycobacterium tuberculosis.
J.Struct.Biol., 192, 2015
3N87
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BU of 3n87 by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 3
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
登録日2010-05-27
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3N59
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BU of 3n59 by Molmil
Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate
分子名称: (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
著者Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC)
登録日2010-05-24
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
1EA1
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Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Poulos, T.L, Waterman, M.R.
登録日2000-11-02
公開日2000-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001

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