8D1Q
 
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine | | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION | | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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5XYF
 | | Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex | | Descriptor: | Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2 | | Authors: | Hu, C, Chen, Y. | | Deposit date: | 2017-07-07 | | Release date: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex.
Cell Res., 27, 2017
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5XM2
 | | Human N-terminal domain of FACT complex subunit SPT16 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL | | Authors: | Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D. | | Deposit date: | 2017-05-12 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
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1JJR
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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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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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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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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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8HBM
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2QIK
 | | Crystal structure of YkqA from Bacillus subtilis. Northeast Structural Genomics Target SR631 | | Descriptor: | CITRIC ACID, UPF0131 protein ykqA | | Authors: | Benach, J, Chen, Y, Forouhar, F, Seetharaman, J, Baran, M.C, Cunningham, K, Ma, L.-C, Owens, L, Chen, C.X, Rong, X, Janjua, H, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-07-05 | | Release date: | 2007-07-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of YkqA from Bacillus subtilis.
To be Published
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6WTT
 | | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | | Deposit date: | 2020-05-03 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
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5DI0
 | | Crystal structure of Dln1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | | Deposit date: | 2015-08-31 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
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4Z8I
 | | Crystal structure of Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | | Descriptor: | ZINC ION, peptidoglycan recognition protein 3 | | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Luo, M, Cao, D.D, Chi, C.B, Yang, H.B, Chen, Y, Zhou, C.Z. | | Deposit date: | 2015-04-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
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1P2A
 | | The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor | | Descriptor: | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2 | | Authors: | Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C. | | Deposit date: | 2003-04-15 | | Release date: | 2003-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors
BIOORG.MED.CHEM., 13, 2003
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3BVD
 | | Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min | | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D. | | Deposit date: | 2008-01-07 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Biochemistry, 47, 2008
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1IG6
 | | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES | | Descriptor: | MODULATOR RECOGNITION FACTOR 2 | | Authors: | Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y. | | Deposit date: | 2001-04-17 | | Release date: | 2001-04-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
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3EH4
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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3EH3
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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3EH5
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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4K6N
 | | Crystal structure of yeast 4-amino-4-deoxychorismate lyase | | Descriptor: | Aminodeoxychorismate lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dai, Y.-N, Chi, C.-B, Zhou, K, Cheng, W, Jiang, Y.-L, Ren, Y.-M, Chen, Y, Zhou, C.-Z. | | Deposit date: | 2013-04-16 | | Release date: | 2013-07-10 | | Last modified: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and catalytic mechanism of yeast 4-amino-4-deoxychorismate lyase
J.Biol.Chem., 288, 2013
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2QPE
 | | An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2007-07-23 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
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8DGB
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
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8DCZ
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
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8DD1
 | | SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
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