8KGS
 
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8KGL
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8KGM
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8KGN
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8HN6
 | | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | | Descriptor: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | | Authors: | Qi, J, Chen, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
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8HN7
 | | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ... | | Authors: | Qi, J, Chen, Y. | | Deposit date: | 2022-12-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents.
Front Immunol, 14, 2023
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1Y7I
 | | Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-08 | | Release date: | 2004-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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6BGI
 | | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, J, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
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4Q2W
 | | Crystal Structure of pneumococcal peptidoglycan hydrolase LytB | | Descriptor: | GLYCEROL, Putative endo-beta-N-acetylglucosaminidase | | Authors: | Bai, X.H, Chen, H.J, Jiang, Y.L, Wen, Z, Cheng, W, Li, Q, Zhang, J.R, Chen, Y, Zhou, C.Z. | | Deposit date: | 2014-04-10 | | Release date: | 2014-07-16 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of pneumococcal peptidoglycan hydrolase LytB reveals insights into the bacterial cell wall remodeling and pathogenesis.
J.Biol.Chem., 289, 2014
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6BGJ
 | | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
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4E12
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-03-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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6ZGP
 | | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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7RN0
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7RN1
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4DYD
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-02-28 | | Release date: | 2012-11-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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6XD7
 | | KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-10 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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6XJ8
 | | KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 A | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-23 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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4E13
 | | Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | | Deposit date: | 2012-03-05 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
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6XD5
 | | Apo KPC-2 N170A mutant at 1.20 A | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2020-06-10 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
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6Y8J
 | | Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA | | Descriptor: | Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | | Deposit date: | 2020-03-05 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
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8W6N
 | | NaS1 with sulfate in IN/OUT state | | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-29 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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8W6D
 | | CryoEM structure of NaDC1 in apo state | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
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