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6THC
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BU of 6thc by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Descriptor: (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
6TGV
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BU of 6tgv by Molmil
Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
6TH2
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BU of 6th2 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
8OWQ
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BU of 8owq by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWP
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BU of 8owp by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWR
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BU of 8owr by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.439 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OW5
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BU of 8ow5 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
Descriptor: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWB
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BU of 8owb by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published

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PDB entries from 2024-07-10

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