7E0P
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![BU of 7e0p by Molmil](/molmil-images/mine/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
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![BU of 7e0t by Molmil](/molmil-images/mine/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
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![BU of 7e0o by Molmil](/molmil-images/mine/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
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![BU of 7e0s by Molmil](/molmil-images/mine/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
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![BU of 7e0u by Molmil](/molmil-images/mine/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
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![BU of 7e0q by Molmil](/molmil-images/mine/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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6K9K
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![BU of 6k9k by Molmil](/molmil-images/mine/6k9k) | Monomeric human ATM (Ataxia telangiectasia mutated) kinase | Descriptor: | Serine-protein kinase ATM | Authors: | Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y. | Deposit date: | 2019-06-16 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (7.82 Å) | Cite: | Structural insights into the activation of ATM kinase. Cell Res., 29, 2019
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7XED
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![BU of 7xed by Molmil](/molmil-images/mine/7xed) | Crystal Structure of OsCIE1-Ubox and OsUBC8 complex | Descriptor: | U-box domain-containing protein 12, UBC core domain-containing protein | Authors: | Zhang, Y, Yu, C.Z. | Deposit date: | 2022-03-30 | Release date: | 2023-10-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice. Nature, 629, 2024
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8HLF
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![BU of 8hlf by Molmil](/molmil-images/mine/8hlf) | Crystal structure of DddK-DMSOP complex | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, MANGANESE (II) ION, Novel protein with potential Cupin domain | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2022-11-30 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms. Nat Microbiol, 8, 2023
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8HLE
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![BU of 8hle by Molmil](/molmil-images/mine/8hle) | Structure of DddY-DMSOP complex | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2022-11-30 | Release date: | 2023-10-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms. Nat Microbiol, 8, 2023
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7E7Y
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![BU of 7e7y by Molmil](/molmil-images/mine/7e7y) | |
7E7X
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![BU of 7e7x by Molmil](/molmil-images/mine/7e7x) | |
7E8C
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![BU of 7e8c by Molmil](/molmil-images/mine/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
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![BU of 7e8f by Molmil](/molmil-images/mine/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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6LY4
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![BU of 6ly4 by Molmil](/molmil-images/mine/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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7Y9O
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![BU of 7y9o by Molmil](/molmil-images/mine/7y9o) | Crystal structure of a CYP109B4 variant from Bacillus sonorensis | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y97
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![BU of 7y97 by Molmil](/molmil-images/mine/7y97) | Crystal structure of CYP109B4 from Bacillus Sonorensis | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y98
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![BU of 7y98 by Molmil](/molmil-images/mine/7y98) | Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7YLE
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![BU of 7yle by Molmil](/molmil-images/mine/7yle) | RnDmpX in complex with DMSP | Descriptor: | 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Glycine betaine/proline ABC transporter, periplasmic glycinebetaine/proline-binding protein | Authors: | Li, C.Y. | Deposit date: | 2022-07-26 | Release date: | 2023-01-25 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Ubiquitous occurrence of a dimethylsulfoniopropionate ABC transporter in abundant marine bacteria. Isme J, 17, 2023
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7CQQ
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![BU of 7cqq by Molmil](/molmil-images/mine/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
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![BU of 7cql by Molmil](/molmil-images/mine/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
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![BU of 7cqn by Molmil](/molmil-images/mine/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
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![BU of 7cqu by Molmil](/molmil-images/mine/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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7CM9
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![BU of 7cm9 by Molmil](/molmil-images/mine/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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7CQX
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![BU of 7cqx by Molmil](/molmil-images/mine/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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