8OQP
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-76 | Descriptor: | 2-azanyl-5-sulfo-benzoic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8OPV
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-10 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8OQU
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8OQM
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-04-12 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8PF8
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72 | Descriptor: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol, GLYCEROL, Probable fatty oxidation protein FadB, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2023-06-15 | Release date: | 2024-01-24 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8KA6
| De novo design protein -NA7 | Descriptor: | De novo design protein -NA7 | Authors: | Wang, S, Liu, Y. | Deposit date: | 2023-08-02 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | De novo design protein -NA7 To Be Published
|
|
8KC0
| De novo design protein -NB8 | Descriptor: | De novo design protein -NB8 | Authors: | Wang, S, Liu, Y. | Deposit date: | 2023-08-05 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design protein -NB8 To Be Published
|
|
4ZW0
| |
3EBI
| Structure of the M1 Alanylaminopeptidase from malaria complexed with the phosphinate dipeptide analog | Descriptor: | (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, GLYCEROL, M1 family aminopeptidase, ... | Authors: | McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2008-08-27 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6N7Q
| |
6JAK
| OtsA apo structure | Descriptor: | Trehalose-6-phosphate synthase | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | Deposit date: | 2019-01-24 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1. Biochem.J., 476, 2019
|
|
6JBI
| Structure of Tps1 apo structure | Descriptor: | Trehalose-6-phosphate synthase | Authors: | Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J. | Deposit date: | 2019-01-25 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1. Biochem.J., 476, 2019
|
|
3EBG
| Structure of the M1 Alanylaminopeptidase from malaria | Descriptor: | GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... | Authors: | McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2008-08-27 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3EBH
| Structure of the M1 Alanylaminopeptidase from malaria complexed with bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, GLYCEROL, M1 family aminopeptidase, ... | Authors: | McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2008-08-27 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6LAR
| Structure of ESX-3 complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Wang, S.H, Zhou, K.X, Li, J, Rao, Z.H. | Deposit date: | 2019-11-13 | Release date: | 2020-11-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | cryo-em structure of esx-3 To Be Published
|
|
5UKY
| DHp domain of PhoR of M. tuberculosis - native data | Descriptor: | 1,2-ETHANEDIOL, ATP-binding protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, S. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis. ACS Omega, 2, 2017
|
|
8SVL
| |
1N2H
| Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate | Descriptor: | ETHANOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
|
|
1N2I
| Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate | Descriptor: | ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
|
|
8HSM
| |
3FVL
| Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group | Descriptor: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Wang, S.F, Jin, J.-Y, Tian, G.R. | Deposit date: | 2009-01-16 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study CHIN.CHEM.LETT., 21, 2010
|
|
3FX6
| X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group | Descriptor: | (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Wang, S.F, Jin, J.Y, Tian, G.R. | Deposit date: | 2009-01-20 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A Bioorg.Med.Chem.Lett., 19, 2009
|
|
6OIU
| |
1N2B
| Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate, higher occupancy of pantoate and lower occupancy of AMPCPP in subunit A | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-22 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a pantothenate
synthetase from M. tuberculosis and its
complexes with substrates and a
reaction intermediate Protein Sci., 12, 2003
|
|
1N2O
| |