5CW8
 
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA | | Descriptor: | HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-27 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
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5CXG
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG | | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1001 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
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5CXI
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA) | | Descriptor: | 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-29 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
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7CQQ
 | | GmaS in complex with AMPPNP and MetSox | | Descriptor: | (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQL
 | | Apo GmaS without ligand | | Descriptor: | Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQN
 | | GmaS in complex with AMPPCP | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQU
 | | GmaS/ADP/MetSox-P complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQX
 | | GmaS/ADP complex-Conformation 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CQW
 | | GmaS/ADP complex-Conformation 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-08-11 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
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7CM9
 | | DMSP lyase DddX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-07-25 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
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7E0P
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | | Descriptor: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.635 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7E0T
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36) | | Descriptor: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7E0O
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1) | | Descriptor: | 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.337 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7E0S
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) | | Descriptor: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.712 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7E0U
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) | | Descriptor: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.278 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7E0Q
 | | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22) | | Descriptor: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, G.-B, Ning, X.-L. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.462 Å) | | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
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7VVX
 | | MmtN-SAH-Met complex | | Descriptor: | METHIONINE, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Zhang, Y.Z, Peng, M, Li, C.Y. | | Deposit date: | 2021-11-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
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7VVW
 | | MmtN-SAM complex | | Descriptor: | GLYCEROL, PHOSPHATE ION, S-ADENOSYLMETHIONINE, ... | | Authors: | Zhang, Y.Z, Peng, M, Li, C.Y. | | Deposit date: | 2021-11-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
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7VVV
 | | Crystal structure of MmtN | | Descriptor: | PHOSPHATE ION, SAM-dependent methyltransferase | | Authors: | Peng, M, Li, C.Y. | | Deposit date: | 2021-11-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
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4N0F
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7E7X
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7E7Y
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7E8C
 | | SARS-CoV-2 S-6P in complex with 9 Fabs | | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | | Authors: | Du, S, Xiao, J, Zhang, Z. | | Deposit date: | 2021-03-01 | | Release date: | 2021-06-09 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
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7E8F
 | | SARS-CoV-2 NTD in complex with N9 Fab | | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | | Authors: | Du, S, Xiao, J, Zhang, Z. | | Deposit date: | 2021-03-01 | | Release date: | 2021-06-09 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
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