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PDB: 15 件
3RUX
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BU of 3rux by Molmil
Crystal structure of biotin-protein ligase BirA from Mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor
分子名称: 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, BirA bifunctional protein
著者Geders, T.W, Finzel, B.C.
登録日2011-05-05
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bisubstrate Adenylation Inhibitors of Biotin Protein Ligase from Mycobacterium tuberculosis.
Chem.Biol., 18, 2011
3TFT
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BU of 3tft by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, pre-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE
著者Geders, T.W, Finzel, B.C.
登録日2011-08-16
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis.
J.Am.Chem.Soc., 133, 2011
3TFU
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BU of 3tfu by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
著者Geders, T.W, Finzel, B.C.
登録日2011-08-16
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis.
J.Am.Chem.Soc., 133, 2011
2Q35
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BU of 2q35 by Molmil
Crystal Structure of the Y82F variant of ECH2 decarboxylase domain of CurF from Lyngbya majuscula
分子名称: CHLORIDE ION, CurF, GLYCEROL
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
2Q34
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BU of 2q34 by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula, rhombohedral crystal form
分子名称: CurF
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
2Q2X
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BU of 2q2x by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula
分子名称: CurF, GLYCEROL
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
2REF
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BU of 2ref by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA
分子名称: ACETYL COENZYME *A, CurA
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
分子名称: CHLORIDE ION, CurA, GLYCEROL, ...
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
3F5H
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BU of 3f5h by Molmil
Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase
分子名称: SODIUM ION, Type I polyketide synthase PikAIII, Type I polyketide synthase PikAIV fusion protein
著者Buchholz, T.J, Geders, T.W, Bartley, F.E, Reynolds, K.A, Smith, J.L, Sherman, D.H.
登録日2008-11-03
公開日2009-01-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for binding specificity between subclasses of modular polyketide synthase docking domains.
Acs Chem.Biol., 4, 2009
3V7I
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BU of 3v7i by Molmil
Germicidin synthase (Gcs) from Streptomyces coelicolor, a type III polyketide synthase
分子名称: Putative polyketide synthase
著者Akey, D.L, Smith, J.L, Geders, T.W.
登録日2011-12-21
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Biochemical and Structural Characterization of Germicidin Synthase: Analysis of a Type III Polyketide Synthase That Employs Acyl-ACP as a Starter Unit Donor.
J.Am.Chem.Soc., 134, 2012
4CXR
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BU of 4cxr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine
分子名称: 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
著者Dai, R, Geders, T.W, Finzel, B.C.
登録日2014-04-08
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4CXQ
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BU of 4cxq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA
分子名称: 1,2-ETHANEDIOL, 7-KETO-8-AMINOPELARGONIC ACID, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
著者Dai, R, Wilson, D.J, Geders, T.W, Aldrich, C.C, Finzel, B.C.
登録日2014-04-08
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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
4WYC
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BU of 4wyc by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor
分子名称: 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R, Geders, T.W.
登録日2014-11-17
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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

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