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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7DGU
| De novo designed protein H4A1R | Descriptor: | de novo designed protein H4A1R | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7DGW
| De novo designed protein H4A2S | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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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: | 2022-03-02 | 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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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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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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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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6KYQ
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6KYR
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6MKM
| Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | 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 (1.673 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase | Authors: | Georgiadis, M.M, He, H, Chen, Q. | Deposit date: | 2018-09-24 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | 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 | 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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7WLJ
| CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | Descriptor: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel. Nat Commun, 13, 2022
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7WLL
| CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ... | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel. Nat Commun, 13, 2022
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7WLK
| CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel. Nat Commun, 13, 2022
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7WLI
| CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel. Nat Commun, 13, 2022
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7WD3
| Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2021-12-21 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7WBB
| Cryo-EM structure of substrate engaged Drg1 hexamer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AFG2 isoform 1, substrate | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7WL5
| Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Equine/Guangxi/25/2010(H5N1) and A/Equine/Guangxi/68/2010(H5N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Wei, X, Yang, X, Chen, Q, Meng, G. | Deposit date: | 2022-01-12 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Equine/Guangxi/25/2010(H5N1) and A/Equine/Guangxi/68/2010(H5N1) To Be Published
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