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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
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
4CXQ
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BU of 4cxq by Molmil
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
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
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
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
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
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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETONE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
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 (1.75 Å)
Cite: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
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:2022-01-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: Potassium voltage-gated channel subfamily H member 1, SULFATE ION
Authors:Adaixo, R, Morais-Cabral, J.H.
Deposit date:2012-10-22
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Adaixo, R, Morais-Cabral, J.H, Harley, C.A.
Deposit date:2012-10-23
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Adaixo, R, Morais-Cabral, J.H, Harley, C.A.
Deposit date:2012-10-25
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: Eag-like K[+] channel, GLYCEROL, SULFATE ION
Authors:Adaixo, R, Morais-Cabral, J.H.
Deposit date:2012-10-23
Release date:2013-03-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kulandaisamy, R, Das, U, Inampudi, K.K.
Deposit date:2022-02-04
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis
To Be Published
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
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, N-(1-oxo-1H-inden-5-yl)acetamide, PYRIDOXAL-5'-PHOSPHATE
Authors:Barry, C.F, Dai, R.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
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
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
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
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
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
4MQQ
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BU of 4mqq by Molmil
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
4MQP
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BU of 4mqp by Molmil
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
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
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
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
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
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
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
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
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
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
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
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
Descriptor: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
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: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
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H.
Deposit date:2020-04-06
Release date:2020-05-06
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite: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
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
Authors: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.
Deposit date:2020-09-03
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite: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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