6MKK
 
 | | Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ... | | Authors: | Georgiadis, M.M, He, H, Chen, Q. | | Deposit date: | 2018-09-25 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.442 Å) | | Cite: | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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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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6NQ1
 | | Cryo-EM structure of human TPC2 channel in the apo state | | Descriptor: | Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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6NQ0
 | | Cryo-EM structure of human TPC2 channel in the ligand-bound open state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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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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6BSZ
 | | Human mGlu8 Receptor complexed with glutamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, 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: | 2017-12-04 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 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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6NQ2
 | | Cryo-EM structure of human TPC2 channel in the ligand-bound closed state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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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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7EPM
 | | human LDHC complexed with NAD+ and ethylamino acetic acid | | Descriptor: | 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2021-04-27 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
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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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7CR6
 | | Synechocystis Cas1-Cas2/prespacer binary complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER) | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2020-08-12 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.72 Å) | | Cite: | Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
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7CR8
 | | Synechocystis Cas1-Cas2-prespacerL complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER) | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2020-08-12 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
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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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7DCY
 | | Apo form of Mycoplasma genitalium RNase R | | Descriptor: | MAGNESIUM ION, Ribonuclease R | | Authors: | Abula, A, Quan, X, Li, X, Yang, T, Li, T, Chen, Q, Ji, X. | | Deposit date: | 2020-10-27 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Molecular mechanism of RNase R substrate sensitivity for RNA ribose methylation.
Nucleic Acids Res., 49, 2021
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7DIC
 | | Mycoplasma genitalium RNase R in complex with single-stranded RNA | | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Ribonuclease R | | Authors: | Abula, A, Quan, X, Li, X, Yang, T, Li, T, Chen, Q, Ji, X. | | Deposit date: | 2020-11-18 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.242 Å) | | Cite: | Molecular mechanism of RNase R substrate sensitivity for RNA ribose methylation.
Nucleic Acids Res., 49, 2021
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7DOL
 | | Mycoplasma genitalium RNase R in complex with double-stranded RNA | | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), Ribonuclease R | | Authors: | Abula, A, Quan, X, Li, X, Yang, T, Li, T, Chen, Q, Ji, X. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Molecular mechanism of RNase R substrate sensitivity for RNA ribose methylation.
Nucleic Acids Res., 49, 2021
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7DID
 | | Mycoplasma genitalium RNase R in complex with ribose methylated single-stranded RNA | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*AP*AP*AP*A)-3'), Ribonuclease R | | Authors: | Abula, A, Quan, X, Li, X, Yang, T, Li, T, Chen, Q, Ji, X. | | Deposit date: | 2020-11-18 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular mechanism of RNase R substrate sensitivity for RNA ribose methylation.
Nucleic Acids Res., 49, 2021
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7DGY
 | | De novo designed protein H4C2R | | Descriptor: | de novo designed protein H4C2R | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7EI1
 | | Structure of Pyrococcus furiosus Cas1Cas2 complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2021-03-30 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | A distinct structure of Cas1-Cas2 complex provides insights into the mechanism for the longer spacer acquisition in Pyrococcus furiosus.
Int.J.Biol.Macromol., 183, 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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5XLT
 | | The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2017-05-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.813 Å) | | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design
Biochem. Biophys. Res. Commun., 493, 2017
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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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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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