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7FH7
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Friedel-Crafts alkylation enzyme CylK mutant Y37F
分子名称: 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ...
著者Wang, H.Q, Wei, Z, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
7FH8
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Friedel-Crafts alkylation enzyme CylK mutant H391A
分子名称: 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ...
著者Wang, H.Q, Wei, Z, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
7FH6
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Friedel-Crafts alkylation enzyme CylK
分子名称: CALCIUM ION, CHLORIDE ION, CylK, ...
著者Liu, L, Wang, H.Q, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
8HWT
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SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
分子名称: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
著者He, Q.W, Xie, Y.
登録日2023-01-02
公開日2023-12-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8HWS
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The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
著者He, Q.W, Xu, Z.P, Xie, Y.F.
登録日2023-01-02
公開日2023-12-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8HU4
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Limosilactobacillus reuteri N1 GtfB
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-22
公開日2023-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HWK
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Limosilactobacillus reuteri N1 GtfB-maltohexaose
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HW3
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Limosilactobacillus reuteri N1 GtfB-acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-28
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HZ8
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BU of 8hz8 by Molmil
Structure of PPIA in complex with the peptide of NRF2
分子名称: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
著者Wanyan, W, Hui, M, Jin, H, Lu, W.
登録日2023-01-08
公開日2024-03-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献PPIA dictates NRF2 stability to promote lung cancer progression.
Nat Commun, 15, 2024
1GP7
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BU of 1gp7 by Molmil
Acidic Phospholipase A2 from venom of Ophiophagus Hannah
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Zhang, H, Lin, Z.
登録日2001-10-30
公開日2002-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a Cardiotoxic Phospholipase A(2) from Ophiophagus Hannah with the "Pancreatic Loop"
J.Struct.Biol., 138, 2002
9UDE
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BU of 9ude by Molmil
Crystal structure of MonCI in complex with diepoxidized farnesyl acetate
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Xiao, H.L, Guan, Y.Z, Chen, X.
登録日2025-04-06
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
9UDB
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BU of 9udb by Molmil
Crystal structure of MonCI in complex with farnesyl acetate
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Deng, Y.M, Chen, X.
登録日2025-04-06
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
9UDD
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BU of 9udd by Molmil
Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Xiao, H.L, Guan, Y.Z, Chen, X.
登録日2025-04-06
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
分子名称: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
著者Payandeh, J, Koth, C.M, Verma, V.A.
登録日2021-09-30
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.978 Å)
主引用文献Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
分子名称: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
著者Shen, L, Zhang, Y.
登録日2016-05-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQH
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BU of 8hqh by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQJ
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BU of 8hqj by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQF
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Non-structural protein 7
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-13
公開日2024-01-31
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
7T79
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
9JQG
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BU of 9jqg by Molmil
Crystal structure of rice DWARF14 in complex with Cyclo(L-Leu-L-Pro)
分子名称: (3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ...
著者Wang, Q.X, Feng, Q.X, Wang, B, Bai, Y.
登録日2024-09-27
公開日2025-05-21
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Root microbiota regulates tiller number in rice.
Cell, 188, 2025
7F24
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Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex without Nb35
分子名称: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xiao, T, Zheng, S.
登録日2021-06-10
公開日2022-06-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F0T
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Cryo-EM structure of dopamine receptor 1 and mini-Gs complex with dopamine bound
分子名称: D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xiao, T, Zheng, S.
登録日2021-06-07
公開日2022-06-15
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022

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