8ZC6
 
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (6.85 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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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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5YQO
 | | Crystal structure of Sirt2 in complex with selective inhibitor L5C | | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | 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 (1.483 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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5YQL
 | | Crystal structure of Sirt2 in complex with selective inhibitor A2I | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, 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 (1.601 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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5YQM
 | | Crystal structure of Sirt2 in complex with selective inhibitor A29 | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, 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: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.735 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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5YZ3
 | | Crystal structure of T2R-TTL-28 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2017-12-12 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
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4E26
 | | BRAF in complex with an organic inhibitor 7898734 | | Descriptor: | 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf | | Authors: | Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R. | | Deposit date: | 2012-03-07 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55, 2012
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4B02
 | | The C-terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage phi6 RNA-Dependent RNA Polymerase | | Descriptor: | MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Sarin, L.P, Wright, S, Chen, Q, Degerth, L.H, Stuart, D.I, Grimes, J.M, Bamford, D.H, Poranen, M.M. | | Deposit date: | 2012-06-27 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The C-Terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage Phi6 RNA-Dependent RNA Polymerase.
Virology, 432, 2012
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4XBK
 | | 2-deoxyribose-5-phosphate aldolase from Lactobacillus brevis | | Descriptor: | ACETIC ACID, Deoxyribose-phosphate aldolase | | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | | Deposit date: | 2014-12-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis
Catalysis Science And Technology, 5, 2015
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4XBS
 | | 2-deoxyribose-5-phosphate aldolase mutant - E78K | | Descriptor: | Deoxyribose-phosphate aldolase | | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | | Deposit date: | 2014-12-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis
Catalysis Science And Technology, 5, 2015
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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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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: | 2024-05-15 | | 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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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: | 2024-05-22 | | 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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4J0C
 | | tannin acyl hydrolase from Lactobacillus plantarum (native structure) | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Tannase | | Authors: | Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-30 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4J0K
 | | Tannin acyl hydrolase in complex with ethyl gallate | | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-31 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4J0D
 | | tannin acyl hydrolase from Lactobacillus plantarum (Cadmium) | | Descriptor: | CADMIUM ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-30 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4J0H
 | | Tannin acyl hydrolase in complex with gallic acid | | Descriptor: | 3,4,5-trihydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-30 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4J0I
 | | Tannin acyl hydrolase in complex with 3,4-dihydroxybenzoate | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-30 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4JUI
 | | crystal structure of tannase from from Lactobacillus plantarum | | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, McKinstry, W.J, Chen, Q. | | Deposit date: | 2013-03-24 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4J0J
 | | Tannin acyl hydrolase in complex with ethyl 3,5-dihydroxybenzoate | | Descriptor: | Tannase, ethyl 3,5-dihydroxybenzoate | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-31 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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