6AWI
 
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6B5G
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6B5I
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7UL1
 | | Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ... | | Authors: | Chen, Y, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2022-04-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
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7UL0
 | | Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ... | | Authors: | Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M. | | Deposit date: | 2022-04-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
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7WBO
 | | Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | Authors: | Chen, Y, Jin, T, Liu, G. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
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7X3K
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7X34
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4U5J
 | | C-Src in complex with Ruxolitinib | | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Chen, Y, Duan, Y, Chen, L. | | Deposit date: | 2014-07-25 | | Release date: | 2014-09-17 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
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1C78
 | | STAPHYLOKINASE (SAK) DIMER | | Descriptor: | STAPHYLOKINASE | | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | | Deposit date: | 2000-02-01 | | Release date: | 2000-08-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
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1C77
 | | STAPHYLOKINASE (SAK) DIMER | | Descriptor: | STAPHYLOKINASE | | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | | Deposit date: | 2000-02-01 | | Release date: | 2000-08-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
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1C79
 | | STAPHYLOKINASE (SAK) DIMER | | Descriptor: | STAPHYLOKINASE | | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | | Deposit date: | 2000-02-01 | | Release date: | 2000-08-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002
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2OTP
 | | Crystal Structure of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2) | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily A member 2 | | Authors: | Gao, F, Peng, H, Chen, Y, Liu, Y, Gao, G.F. | | Deposit date: | 2007-02-08 | | Release date: | 2008-02-19 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of 3D Domain Swapped Dimer of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2), Molecular Insight into Group 1 Activating Receptor Forming Unique MW Interaction Pattern
To be Published
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6XF4
 | | Crystal structure of STING REF variant in complex with E7766 | | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | | Deposit date: | 2020-06-15 | | Release date: | 2021-02-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity.
Chemmedchem, 16, 2021
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6XF3
 | | Crystal structure of STING in complex with E7766 | | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | | Deposit date: | 2020-06-15 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity.
Chemmedchem, 16, 2021
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6YQ7
 | | Taka-amylase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQC
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQB
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQ9
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQA
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor | | Descriptor: | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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2NYM
 | | Crystal Structure of Protein Phosphatase 2A (PP2A) with C-terminus truncated catalytic subunit | | Descriptor: | MANGANESE (II) ION, Protein phosphatase 2, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ... | | Authors: | Chen, Y, Xing, Y, Xu, Y, Chao, Y, Lin, Z, Jeffrey, P.D, Shi, Y. | | Deposit date: | 2006-11-21 | | Release date: | 2006-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of the Protein Phosphatase 2A Holoenzyme.
Cell(Cambridge,Mass.), 127, 2006
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6J67
 | | Crystal structure of the compound 34 in a complex with TRF2 | | Descriptor: | 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 | | Authors: | Chen, Y, Yang, Y, Lei, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
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7NAB
 | | Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165 | | Descriptor: | CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ... | | Authors: | Chen, Y, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2021-06-21 | | Release date: | 2021-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
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6UEG
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | Descriptor: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6UEE
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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