5YB5
 
 | | The complex crystal structure of VrEH2 mutant M263N with SNO | | 分子名称: | (S)-PARA-NITROSTYRENE OXIDE, Epoxide hydrolase | | 著者 | Li, F.L, Chen, F.F, Chen, Q, Kong, X.D, Yu, H.L, Xu, J.H. | | 登録日 | 2017-09-03 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | | 主引用文献 | Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
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6IEV
 | | Crystal structure of a designed protein | | 分子名称: | Designed protein | | 著者 | Han, M, Liao, S, Chen, Q, Liu, H. | | 登録日 | 2018-09-17 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures.
Protein Sci., 28, 2019
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6J3B
 | | Crystal structure of human DHODH in complex with inhibitor 1289 | | 分子名称: | (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-01-04 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode.
Febs Open Bio, 9, 2019
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6J3C
 | | Crystal structure of human DHODH in complex with inhibitor 1291 | | 分子名称: | (6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-01-04 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode.
Febs Open Bio, 9, 2019
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6JMD
 | | Crystal structure of human DHODH in complex with inhibitor 1223 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-03-08 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-03-08 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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5Y6Y
 | | The crystal structure of VrEH2 mutant M263N | | 分子名称: | Epoxide hydrolase | | 著者 | Li, F.L, Yu, H.L, Chen, Q, Kong, X.D, Zhou, J.H, Xu, J.H. | | 登録日 | 2017-08-15 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
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7DRV
 | | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | | 登録日 | 2020-12-29 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
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6KY5
 | | Crystal structure of a hydrolase mutant | | 分子名称: | PET hydrolase, SULFATE ION | | 著者 | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | | 登録日 | 2019-09-16 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
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4OB6
 | | Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA | | 分子名称: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein | | 著者 | Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H. | | 登録日 | 2014-01-07 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014
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4O98
 | | Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W | | 分子名称: | ZINC ION, organophosphorus hydrolase | | 著者 | Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H. | | 登録日 | 2014-01-02 | | 公開日 | 2014-12-03 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
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4QHE
 | | Crystal structure of Mg2+ bound human APE1 | | 分子名称: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | | 著者 | He, H, Chen, Q, Georgiadis, M.M. | | 登録日 | 2014-05-28 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
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4QHD
 | | Crystal structure of apo human APE1 | | 分子名称: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) lyase | | 著者 | He, H, Chen, Q, Georgiadis, M.M. | | 登録日 | 2014-05-28 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | High-resolution crystal structures reveal plasticity in the metal binding site of apurinic/apyrimidinic endonuclease I.
Biochemistry, 53, 2014
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4QXW
 | | Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain | | 分子名称: | Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside | | 著者 | Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | | 登録日 | 2014-07-22 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
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6K9V
 | | Crystal structure of tubulin in complex with inhibitor D64 | | 分子名称: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-06-18 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.543 Å) | | 主引用文献 | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020
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7EPM
 | | human LDHC complexed with NAD+ and ethylamino acetic acid | | 分子名称: | 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2021-04-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
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7DP8
 | | Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | | 分子名称: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | 登録日 | 2020-12-18 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.446 Å) | | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | 分子名称: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | 著者 | Yu, Y, Li, B, Chen, Q. | | 登録日 | 2017-04-24 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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6KYB
 | | Crystal structure of Atg18 from Saccharomyces cerevisiae | | 分子名称: | Autophagy-related protein 18 | | 著者 | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | | 登録日 | 2019-09-17 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
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6KYQ
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6KYR
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6MKM
 | | Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Georgiadis, M.M, He, H, Chen, Q. | | 登録日 | 2018-09-25 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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6MK3
 | | Crystallographic solvent mapping analysis of DMSO bound to APE1 | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase | | 著者 | Georgiadis, M.M, He, H, Chen, Q. | | 登録日 | 2018-09-24 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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6MKO
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6MKK
 | | Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1 | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ... | | 著者 | Georgiadis, M.M, He, H, Chen, Q. | | 登録日 | 2018-09-25 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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