4CXQ
 
 | | Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA | | Descriptor: | 1,2-ETHANEDIOL, 7-KETO-8-AMINOPELARGONIC ACID, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ... | | Authors: | Dai, R, Wilson, D.J, Geders, T.W, Aldrich, C.C, Finzel, B.C. | | Deposit date: | 2014-04-08 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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4CXR
 | | Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine | | Descriptor: | 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ... | | Authors: | Dai, R, Geders, T.W, Finzel, B.C. | | Deposit date: | 2014-04-08 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Dai, R, Finzel, B.C, Geders, T.W. | | Deposit date: | 2014-11-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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4WYG
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Dai, R, Finzel, B.C. | | Deposit date: | 2014-11-17 | | Release date: | 2015-07-08 | | Last modified: | 2015-07-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 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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7B75
 | | Cryo-EM Structure of Human Thyroglobulin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thyroglobulin, ... | | Authors: | Adaixo, R, Righetto, R, Steiner, E.M, Taylor, N.M.I, Stahlberg, H. | | Deposit date: | 2020-12-09 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of native human thyroglobulin.
Nat Commun, 13, 2022
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4HQA
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4HP4
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4HOI
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7WT6
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1MZS
 | | CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor | | Descriptor: | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION | | Authors: | Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S. | | Deposit date: | 2002-10-09 | | Release date: | 2002-11-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
J.Med.Chem., 46, 2003
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4HP9
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4XJO
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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4W1V
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
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4W1X
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
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4WYF
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4WYC
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R, Geders, T.W. | | Deposit date: | 2014-11-17 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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4XJP
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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4MQP
 | | Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole | | Descriptor: | (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, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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4MQQ
 | | Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide | | Descriptor: | (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, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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4MQR
 | | Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate | | Descriptor: | 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 | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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4XJL
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015
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4XJM
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4XEW
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-12-25 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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6QNO
 | | Rhodopsin-Gi protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab antibody fragment heavy chain, Fab antibody fragment light chain, ... | | Authors: | Tsai, C.-J, Marino, J, Adaixo, R.J, Pamula, F, Muehle, J, Maeda, S, Flock, T, Taylor, N.M.I, Mohammed, I, Matile, H, Dawson, R.J.P, Deupi, X, Stahlberg, H, Schertler, G.F.X. | | Deposit date: | 2019-02-11 | | Release date: | 2019-07-10 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.38 Å) | | Cite: | Cryo-EM structure of the rhodopsin-G alpha i-beta gamma complex reveals binding of the rhodopsin C-terminal tail to the G beta subunit.
Elife, 8, 2019
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