6BT5
 
 | | Human mGlu8 Receptor complexed with L-AP4 | | Descriptor: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | | Deposit date: | 2017-12-05 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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5DZL
 | | Crystal structure of the protein human CEACAM1 | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1 | | Authors: | Huang, Y.H, Russell, A, Gandhi, A.K, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | | Deposit date: | 2015-09-25 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4006 Å) | | Cite: | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion.
Nature, 517, 2015
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6C96
 | | Cryo-EM structure of mouse TPC1 channel in the apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2018-01-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
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5E8L
 | | Crystal structure of geranylgeranyl pyrophosphate synthase 11 from Arabidopsis thaliana | | Descriptor: | Heterodimeric geranylgeranyl pyrophosphate synthase large subunit 1, chloroplastic | | Authors: | Wang, C, Chen, Q, Fan, D, Li, J, Wang, G, Zhang, P. | | Deposit date: | 2015-10-14 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Structural Analyses of Short-Chain Prenyltransferases Identify an Evolutionarily Conserved GFPPS Clade in Brassicaceae Plants.
Mol Plant, 9, 2016
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5Y6Y
 | | The crystal structure of VrEH2 mutant M263N | | Descriptor: | Epoxide hydrolase | | Authors: | Li, F.L, Yu, H.L, Chen, Q, Kong, X.D, Zhou, J.H, Xu, J.H. | | Deposit date: | 2017-08-15 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
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6KY5
 | | Crystal structure of a hydrolase mutant | | Descriptor: | PET hydrolase, SULFATE ION | | Authors: | 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. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
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4F8H
 | | X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel | | Descriptor: | (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ... | | Authors: | Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine.
Structure, 20, 2012
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6K9V
 | | Crystal structure of tubulin in complex with inhibitor D64 | | Descriptor: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-06-18 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.543 Å) | | Cite: | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020
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7YKT
 | | Cryo-EM structure of Drg1 hexamer in helical state treated with ADP/AMPPNP/benzo-diazaborine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-23 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7YKZ
 | | Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine | | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-25 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7YKL
 | | Cryo-EM structure of Drg1 hexamer treated with AMPPNP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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7YKK
 | | Cryo-EM structure of Drg1 hexamer treated with ADP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | | Deposit date: | 2022-07-22 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | Descriptor: | (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, ... | | Authors: | Yu, Y, Li, B, Chen, Q. | | Deposit date: | 2017-04-24 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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6EDR
 | | Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+ | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Dai, Z, Zhang, X.N, Nasertorabi, F, Cheng, Q, Pei, H, Louie, S.G, Stevens, C.R, Zhang, Y. | | Deposit date: | 2018-08-10 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Facile chemoenzymatic synthesis of a novel stable mimic of NAD.
Chem Sci, 9, 2018
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7V6J
 | | LcCOMT in complex with SAM | | Descriptor: | LcCOMT, S-ADENOSYLMETHIONINE, SODIUM ION | | Authors: | Yu, Y, CHen, Q. | | Deposit date: | 2021-08-20 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism.
Int.J.Biol.Macromol., 194, 2022
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7V6L
 | | LcCOMT in complex with SAH | | Descriptor: | LcCOMT, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Yu, Y, CHen, Q. | | Deposit date: | 2021-08-20 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism.
Int.J.Biol.Macromol., 194, 2022
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6J3B
 | | Crystal structure of human DHODH in complex with inhibitor 1289 | | Descriptor: | (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, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-01-04 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-01-04 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | 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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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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6KYB
 | | Crystal structure of Atg18 from Saccharomyces cerevisiae | | Descriptor: | Autophagy-related protein 18 | | Authors: | Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S. | | Deposit date: | 2019-09-17 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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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6IEV
 | | Crystal structure of a designed protein | | Descriptor: | Designed protein | | Authors: | Han, M, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2018-09-17 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 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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6JMD
 | | Crystal structure of human DHODH in complex with inhibitor 1223 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2019-03-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | 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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6KYQ
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6KYR
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5YQN
 | | Crystal structure of Sirt2 in complex with selective inhibitor L55 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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