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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
4WYG
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BU of 4wyg by Molmil
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
4WYE
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BU of 4wye by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a DSF fragment hit
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETONE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
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 (1.75 Å)
主引用文献Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
7B75
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BU of 7b75 by Molmil
Cryo-EM Structure of Human Thyroglobulin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thyroglobulin, ...
著者Adaixo, R, Righetto, R, Steiner, E.M, Taylor, N.M.I, Stahlberg, H.
登録日2020-12-09
公開日2021-12-29
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of native human thyroglobulin.
Nat Commun, 13, 2022
4HOI
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BU of 4hoi by Molmil
Crystal structure of PAS domain from the mouse EAG1 potassium channel
分子名称: Potassium voltage-gated channel subfamily H member 1, SULFATE ION
著者Adaixo, R, Morais-Cabral, J.H.
登録日2012-10-22
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
4HP9
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BU of 4hp9 by Molmil
Crystal structure of the N-terminal truncated PAS domain from the hERG potassium channel
分子名称: Potassium voltage-gated channel subfamily H member 2
著者Adaixo, R, Morais-Cabral, J.H, Harley, C.A.
登録日2012-10-23
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
4HQA
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BU of 4hqa by Molmil
Crystal structure of PAS domain from the human ERG (hERG) potassium channel
分子名称: Potassium voltage-gated channel subfamily H member 2
著者Adaixo, R, Morais-Cabral, J.H, Harley, C.A.
登録日2012-10-25
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
4HP4
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BU of 4hp4 by Molmil
Crystal structure of PAS domain from the fruit-fly ELK potassium channel
分子名称: Eag-like K[+] channel, GLYCEROL, SULFATE ION
著者Adaixo, R, Morais-Cabral, J.H.
登録日2012-10-23
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural properties of PAS domains from the KCNH potassium channels
Plos One, 8, 2013
7WT6
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BU of 7wt6 by Molmil
Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis
分子名称: Peptidyl-tRNA hydrolase
著者Kulandaisamy, R, Das, U, Inampudi, K.K.
登録日2022-02-04
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis
To Be Published
4MQQ
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BU of 4mqq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide
分子名称: (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]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 (1.7 Å)
主引用文献Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4MQR
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BU of 4mqr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate
分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
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 (2.1 Å)
主引用文献Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4WYF
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BU of 4wyf by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a DSF fragment hit
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, N-(1-oxo-1H-inden-5-yl)acetamide, PYRIDOXAL-5'-PHOSPHATE
著者Barry, C.F, Dai, R.
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 (2.25 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
4XJL
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BU of 4xjl by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015
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
4MQP
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BU of 4mqp by Molmil
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
4XJO
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BU of 4xjo by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
分子名称: 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4W1V
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BU of 4w1v by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4XJP
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BU of 4xjp by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
6YL3
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BU of 6yl3 by Molmil
High resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica
分子名称: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
著者Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H.
登録日2020-04-06
公開日2020-05-06
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica.
Nat Commun, 11, 2020
7AA5
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BU of 7aa5 by Molmil
Human TRPV4 structure in presence of 4a-PDD
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
著者Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J.
登録日2020-09-03
公開日2021-08-18
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published

 

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