2MN4
| NMR solution structure of a computational designed protein based on structure template 1cy5 | Descriptor: | Computational designed protein based on structure template 1cy5 | Authors: | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | Deposit date: | 2014-03-28 | Release date: | 2014-10-29 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability Nat Commun, 5, 2014
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4QXW
| Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside | Authors: | Huang, Y.H, Gandhi, A.K, Russell, A, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | Deposit date: | 2014-07-22 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion. Nature, 517, 2015
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3RQW
| Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ... | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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5H74
| Crystal structure of T2R-TTL-14b complex | Descriptor: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2016-11-17 | Release date: | 2017-11-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin To Be Published
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5H7O
| Crystal structure of DJ-101 in complex with tubulin protein | Descriptor: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W. | Deposit date: | 2016-11-20 | Release date: | 2017-12-13 | Last modified: | 2022-10-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance. Cancer Res., 78, 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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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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5E8H
| Crystal structure of geranylfarnesyl pyrophosphate synthases 2 from Arabidopsis thaliana | Descriptor: | Geranylgeranyl pyrophosphate synthase 3, chloroplastic | Authors: | Wang, C, Chen, Q, Wang, G, Zhang, P. | Deposit date: | 2015-10-14 | Release date: | 2015-11-11 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.3 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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5E8K
| Crystal structure of polyprenyl pyrophosphate synthase 2 from Arabidopsis thaliana | Descriptor: | Geranylgeranyl pyrophosphate synthase 10, mitochondrial | 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 (3.028 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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3RQU
| Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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7CE8
| Crystal structure of T2R-TTL-Compound11 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-22 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.725 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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5YB5
| The complex crystal structure of VrEH2 mutant M263N with SNO | Descriptor: | (S)-PARA-NITROSTYRENE OXIDE, Epoxide hydrolase | Authors: | Li, F.L, Chen, F.F, Chen, Q, Kong, X.D, Yu, H.L, Xu, J.H. | Deposit date: | 2017-09-03 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation Acs Catalysis, 8, 2018
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5T38
| Crystal Structure of the N-terminal domain of EvdMO1 with SAH bound | Descriptor: | EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | McCulloch, K.M, Berndt, S, Yamakawa, I, Chen, Q, Loukachevitch, L.V, Starbird, C, Perry, N.A, Iverson, T.M. | Deposit date: | 2016-08-25 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1502 Å) | Cite: | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains. Biochemistry, 57, 2018
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5T39
| Crystal Structure of the N-terminal domain of EvdMO1 in the presence of SAH and D-fucose | Descriptor: | EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | McCulloch, K.M, Starbird, C.A, Chen, Q, Perry, N.A, Berndt, S, Yamakawa, I, Loukachevitch, L.V, Iverson, T.M. | Deposit date: | 2016-08-25 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1004 Å) | Cite: | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains. Biochemistry, 57, 2018
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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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7CDA
| Crystal structure of T2R-TTL-PAC complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.659 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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7CEK
| Crystal structure of T2R-TTL-BML-284 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-23 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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7CE6
| Crystal structure of T2R-TTL-Compound9 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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4OB6
| Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA | Descriptor: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein | Authors: | Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H. | Deposit date: | 2014-01-07 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | ZINC ION, organophosphorus hydrolase | Authors: | Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H. | Deposit date: | 2014-01-02 | Release date: | 2014-12-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | 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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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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8F4V
| Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7 | Authors: | Bondarenko, V, Chen, Q, Tang, P. | Deposit date: | 2022-11-11 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | SOLUTION NMR | Cite: | Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization. Acs Chem Neurosci, 14, 2023
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7DRV
| Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2020-12-29 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species. Cell, 184, 2021
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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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7CLD
| Crystal structure of T2R-TTL-Cevipabulin complex | Descriptor: | 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, CALCIUM ION, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-07-20 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.611 Å) | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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