2Q35
 
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2Q2X
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2Q34
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3RUX
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2REF
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2REE
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3TFT
 | | 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
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3TFU
 | | 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
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4CXQ
 | | 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
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3F5H
 | | 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
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4CXR
 | | 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
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4WYD
 | | 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
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4WYC
 | | 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
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4WYA
 | | 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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3V7I
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4XEW
 | | 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
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3U1T
 | | Haloalkane Dehalogenase, DmmA, of marine microbial origin | | 分子名称: | CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION | | 著者 | Gehret, J.J, Smith, J.L. | | 登録日 | 2011-09-30 | | 公開日 | 2011-12-28 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
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4WYF
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4WYG
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit | | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Dai, R, Finzel, B.C. | | 登録日 | 2014-11-17 | | 公開日 | 2015-07-08 | | 最終更新日 | 2015-07-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 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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4WYE
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4PKS
 | | Anthrax toxin lethal factor with bound small molecule inhibitor 11 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ... | | 著者 | Maize, K.M, De la Mora, T, Finzel, B.C. | | 登録日 | 2014-05-15 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
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4PKR
 | | Anthrax toxin lethal factor with bound small molecule inhibitor 10 | | 分子名称: | CHLORIDE ION, GLYCEROL, Lethal factor, ... | | 著者 | Maize, K.M, De la Mora, T, Finzel, B.C. | | 登録日 | 2014-05-15 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
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4PKU
 | | Anthrax toxin lethal factor with bound small molecule inhibitor 15 | | 分子名称: | Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION | | 著者 | Maize, K.M, De la Mora, T, Finzel, B.C. | | 登録日 | 2014-05-15 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
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4PKW
 | | Anthrax toxin lethal factor with bound small molecule inhibitor GM6001 | | 分子名称: | 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ... | | 著者 | Maize, K.M, De la Mora, T, Finzel, B.C. | | 登録日 | 2014-05-15 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
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4MQP
 | | Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole | | 分子名称: | (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | 著者 | Finzel, B.C, Dai, R. | | 登録日 | 2013-09-16 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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