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4S3F
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BU of 4s3f by Molmil
IspG in complex with Inhibitor 8 (compound 1077)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3A
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BU of 4s3a by Molmil
IspG in complex with Intermediate I
分子名称: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-05-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
7XAX
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BU of 7xax by Molmil
Crystal structure of SARS coronavirus main protease in complex with Baicalei
分子名称: 3C-like proteinase nsp5, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
著者Zhou, X.L, Li, J, Zhang, J.
登録日2022-03-19
公開日2023-03-22
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of SARS-CoV 3C-like protease with baicalein.
Biochem.Biophys.Res.Commun., 611, 2022
4MYD
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BU of 4myd by Molmil
1.37 Angstrom Crystal Structure of E. Coli 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (MenH) in complex with SHCHC
分子名称: 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase
著者Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z.
登録日2013-09-27
公開日2014-04-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad.
J.Biol.Chem., 289, 2014
1W2X
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BU of 1w2x by Molmil
Crystal structure of the carboxyltransferase domain of acetyl- coenzyme A carboxylase in complex with CP-640186
分子名称: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, ACETYL-COA CARBOXYLASE
著者Zhang, H, Tweel, B, Li, J, Tong, L.
登録日2004-07-09
公開日2004-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme a Carboxylase in Complex with Cp-640186
Structure, 12, 2004
7XRY
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BU of 7xry by Molmil
Crystal structure of MERS main protease 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, ORF1a
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2022-05-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease 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, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
登録日2022-05-11
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
5GVA
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BU of 5gva by Molmil
WD40 domain of human AND-1
分子名称: WD repeat and HMG-box DNA-binding protein 1
著者Guan, C.C, Li, J.
登録日2016-09-04
公開日2017-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome
J. Biol. Chem., 292, 2017
4QBL
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BU of 4qbl by Molmil
VRR_NUC domain protein
分子名称: MAGNESIUM ION, VRR-NUC
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
4QBN
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BU of 4qbn by Molmil
VRR_NUC domain
分子名称: Nuclease, SULFATE ION
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
5GVB
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BU of 5gvb by Molmil
SepB domain of human AND-1
分子名称: WD repeat and HMG-box DNA-binding protein 1
著者Guan, C.C, Li, J.
登録日2016-09-05
公開日2017-04-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome.
J. Biol. Chem., 292, 2017
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease 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Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
登録日2022-07-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7WBJ
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BU of 7wbj by Molmil
Cryo-EM structure of N-terminal modified human vasoactive intestinal polypeptide receptor 2 (VIP2R) in complex with PACAP27 and Gs
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Xu, Y.N, Feng, W.B, Zhou, Q.T, Liang, A.Y, Li, J, Dai, A.T, Zhao, F.H, Yan, J.H, Chen, C.W, Li, H, Zhao, L.H, Xia, T, Jiang, Y, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2021-12-16
公開日2022-05-18
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献A distinctive ligand recognition mechanism by the human vasoactive intestinal polypeptide receptor 2.
Nat Commun, 13, 2022
7WGW
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BU of 7wgw by Molmil
NMR Solution Structure of a cGMP Fill-in Vacancy G-quadruplex Formed in the Oxidized BLM Gene Promoter
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, DNA (20-MER)
著者Wang, K.B, Liu, Y, Li, Y, Li, J, Dickerhoff, J, Yang, M.H, Yang, D, Kong, L.Y.
登録日2021-12-29
公開日2022-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Oxidative Damage Induces a Vacancy G-Quadruplex That Binds Guanine Metabolites: Solution Structure of a cGMP Fill-in Vacancy G-Quadruplex in the Oxidized BLM Gene Promoter.
J.Am.Chem.Soc., 144, 2022
7VQX
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BU of 7vqx by Molmil
Cryo-EM structure of human vasoactive intestinal polypeptide receptor 2 (VIP2R) in complex with PACAP27 and Gs
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Xu, Y.N, Feng, W.B, Zhou, Q.T, Liang, A.Y, Li, J, Dai, A.T, Zhao, F.H, Yan, J.H, Chen, C.W, Li, H, Zhao, L.H, Xia, T, Jiang, Y, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2021-10-21
公開日2022-05-18
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献A distinctive ligand recognition mechanism by the human vasoactive intestinal polypeptide receptor 2.
Nat Commun, 13, 2022
4BGD
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BU of 4bgd by Molmil
Crystal structure of Brr2 in complex with the Jab1/MPN domain of Prp8
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Nguyen, T.H.D, Li, J, Nagai, K.
登録日2013-03-25
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of Brr2-Prp8 Interactions and Implications for U5 Snrnp Biogenesis and the Spliceosome Active Site
Structure, 21, 2013
8DSV
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BU of 8dsv by Molmil
The structure of NicA2 in complex with N-methylmyosmine
分子名称: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ...
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-22
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
8DQ8
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BU of 8dq8 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ...
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-18
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
8DQ7
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BU of 8dq7 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S from Pseudomonas putida
分子名称: Amine oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
登録日2022-07-18
公開日2023-07-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 2023
4JCL
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BU of 4jcl by Molmil
Crystal structure of Alpha-CGT from Paenibacillus macerans at 1.7 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Wu, L, Zhou, J, Wu, J, Li, J, Chen, J.
登録日2013-02-22
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Alpha-Cgt from Paenibacillus Macerans at 1.7 Angstrom Resolution
To be Published
1A5E
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BU of 1a5e by Molmil
SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 18 STRUCTURES
分子名称: TUMOR SUPPRESSOR P16INK4A
著者Byeon, I.-J.L, Li, J, Ericson, K, Selby, T.L, Tevelev, A, Kim, H.-J, O'Maille, P, Tsai, M.-D.
登録日1998-02-13
公開日1999-08-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Tumor suppressor p16INK4A: determination of solution structure and analyses of its interaction with cyclin-dependent kinase 4.
Mol.Cell, 1, 1998
6W0B
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BU of 6w0b by Molmil
Open-gate KcsA soaked in 2 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.604 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0H
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BU of 6w0h by Molmil
Closed-gate KcsA soaked in 5mM KCl/5mM BaCl2
分子名称: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
4QBO
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VRR_NUC domain
分子名称: MAGNESIUM ION, Nuclease
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
6W0C
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BU of 6w0c by Molmil
Open-gate KcsA soaked in 4 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.556 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020

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