8HO1
 
 | | Crystal structure of cytochrome P450 NasF5053 mutant F387G | | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HNZ
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8H85
 | | Trans-3/4-proline-hydroxylase H11 with 3-hydroxyl-proline | | Descriptor: | 3-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8HO0
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8H7T
 | | Trans-3/4-proline-hydroxylase H11 apo structure | | Descriptor: | CHLORIDE ION, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8H81
 | | Trans-3/4-proline-hydroxylase H11 with 4-Hydroxyl-proline | | Descriptor: | 4-HYDROXYPROLINE, Phytanoyl-CoA dioxygenase | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8H7Y
 | | Trans-3/4-proline-hydroxylase H11 with AKG and L-proline | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ... | | Authors: | Gong, W.M, Hu, X.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
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8HNY
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8J6R
 | | Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | | Deposit date: | 2023-04-26 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
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8J6P
 | | Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ... | | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | | Deposit date: | 2023-04-26 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
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8J6Q
 | | Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex | | Descriptor: | (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ... | | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | | Deposit date: | 2023-04-26 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
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7CHV
 | | Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Li, G.-B. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
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7CJS
 | | structure of aquaporin | | Descriptor: | Aquaporin NIP2-1, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Saitoh, Y, Ma, J.F, Suga, M. | | Deposit date: | 2020-07-13 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for high selectivity of a rice silicon channel Lsi1.
Nat Commun, 12, 2021
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7CXR
 | | Cryo-EM structure of human TMEM120A/TACAN | | Descriptor: | MCherry fluorescent protein,Ion channel TACAN | | Authors: | Yan, Z, Wu, J, Ke, M. | | Deposit date: | 2020-09-02 | | Release date: | 2021-09-01 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of human TMEM120A and TMEM120B.
Cell Discov, 7, 2021
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7F73
 | | Cryo-EM structure of human TMEM120B | | Descriptor: | MCherry fluorescent protein,Transmembrane protein 120B | | Authors: | Ke, M, Wu, J, Yan, Z. | | Deposit date: | 2021-06-27 | | Release date: | 2021-09-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of human TMEM120A and TMEM120B.
Cell Discov, 7, 2021
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7ESC
 | | FmnB complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Cheng, W, Zheng, Y.H. | | Deposit date: | 2021-05-10 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7ESA
 | | the complex structure of flavin transferase FmnB complexed with FAD | | Descriptor: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | | Authors: | Zheng, Y.H, Cheng, W. | | Deposit date: | 2021-05-09 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7ESB
 | | FmnB complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Zheng, Y.H, Cheng, W. | | Deposit date: | 2021-05-09 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7F39
 | | The structure of flavin transferase FmnB | | Descriptor: | FAD:protein FMN transferase | | Authors: | Cheng, W, Zheng, Y.H. | | Deposit date: | 2021-06-15 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.888 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7F2U
 | | FmnB complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Cheng, W, Zheng, Y.H. | | Deposit date: | 2021-06-14 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7XE8
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7XR5
 | | Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, J, Chen, R.C, Gao, S.S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Actinomycetes-derived imine reductases with a preference towards bulky amine substrates.
Commun Chem, 5, 2022
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5WQ1
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6BG3
 | | Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 | | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-10-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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7VWC
 | | Cryo-EM structure of human very long-chain fatty acid ABC transporter ABCD1 | | Descriptor: | Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] octadecanoate | | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2021-11-10 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
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