6CD5
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-08 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
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6CJ2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
Acs Chem.Biol., 13, 2018
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7EKE
 | | Structure of SARS-CoV-2 spike receptor-binding domain F486L mutation complexed with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKG
 | | Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with human ACE2 | | 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: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKC
 | | Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with human ACE2 | | 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: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKH
 | | Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKF
 | | Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human ACE2 | | 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: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7W8S
 | | Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with American mink ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Su, C, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-17 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Molecular Basis of Mink ACE2 Binding to SARS-CoV-2 and Its Mink-Derived Variants.
J.Virol., 96, 2022
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7WA1
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3I6G
 | | Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Liu, J. | | Deposit date: | 2009-07-07 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
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6MX8
 | | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | | Authors: | Dougan, D.R, Zhou, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
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3I6L
 | | Newly identified epitope N1 derived from SARS-CoV N protein complexed with HLA-A*2402 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Liu, J.W. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel immunodominant peptide presentation strategy: a featured HLA-A*2402-restricted cytotoxic T-lymphocyte epitope stabilized by intrachain hydrogen bonds from severe acute respiratory syndrome coronavirus nucleocapsid protein
J.Virol., 84, 2010
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7BW6
 | | Varicella-zoster virus capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q. | | Deposit date: | 2020-04-13 | | Release date: | 2020-09-23 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of the varicella-zoster virus A-capsid.
Nat Commun, 11, 2020
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7CZF
 | | Crystal structure of Kaposi Sarcoma associated herpesvirus (KSHV ) gHgL in complex with the ligand binding domian (LBD) of EphA2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F. | | Deposit date: | 2020-09-08 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
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5GZR
 | | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | | Descriptor: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | | Authors: | Gao, G.G, Shi, Y, Peng, R, Liu, S. | | Deposit date: | 2016-10-01 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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7CZE
 | | Crystal structure of Epstein-Barr virus (EBV) gHgL and in complex with the ligand binding domian (LBD) of EphA2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ... | | Authors: | Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F. | | Deposit date: | 2020-09-08 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
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7DHX
 | | Crystal structure of SARS-CoV-2 RBD binding to pangolin ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ZINC ION, ... | | Authors: | Wang, Q.H, Qi, J.X, Wu, L.L. | | Deposit date: | 2020-11-17 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of pangolin ACE2 engaged by COVID-19 virus
Chin.Sci.Bull., 66, 2021
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5YOW
 | | The post-fusion structure of the Heartland virus Gc glycoprotein | | Descriptor: | Glycoprotein polyprotein, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Wu, Y, Gao, F, Qi, J.X, Chai, Y. | | Deposit date: | 2017-10-31 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Postfusion Structure of the Heartland Virus Gc Glycoprotein Supports Taxonomic Separation of the Bunyaviral Families Phenuiviridae and Hantaviridae.
J. Virol., 92, 2018
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7KPY
 | | Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2020-11-12 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
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7LH8
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 | | Descriptor: | (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2021-01-21 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
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4K1I
 | | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2013-04-05 | | Release date: | 2013-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
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5EB9
 | | Crystal Structure Of Chicken CD8aa Homodimer | | Descriptor: | CD8 alpha chain | | Authors: | Liu, Y.J, Qi, J.X, Xia, C. | | Deposit date: | 2015-10-18 | | Release date: | 2016-09-14 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
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8WDS
 | | Crystal structure of BF.7 RBD complexed with human ACE2 | | 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: | Li, W, Xie, Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins.
Embo J., 43, 2024
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8WDR
 | | Crystal structure of BQ.1.1 RBD complexed with human ACE2 | | 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: | Li, W, Xie, Y. | | Deposit date: | 2023-09-16 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins.
Embo J., 43, 2024
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7XCK
 | | Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with S309 fab (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | | Authors: | Gao, G.F, Qi, J.X, Zhao, Z.N, Xie, Y.F, Liu, S. | | Deposit date: | 2022-03-24 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
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