8DMN
 
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8DK8
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8DKH
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8DKL
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8DKJ
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8EJ9
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8EJ7
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8FTC
 | | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | Deposit date: | 2023-01-11 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism.
Acs Bio Med Chem Au, 3, 2023
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8GRY
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-09-03 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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8H06
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | | 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: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2022-09-28 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
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7WSK
 | | Crystal structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with civet ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Huang, B, Han, P, Qi, J. | | Deposit date: | 2022-01-29 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7WRI
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-08 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7WRH
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse 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, Processed angiotensin-converting enzyme 2, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7X1M
 | | The complex structure of Omicron BA.1 RBD with BD604, S309,and S304 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ... | | Authors: | Huang, M, Xie, Y.F, Qi, J.X. | | Deposit date: | 2022-02-24 | | Release date: | 2022-07-06 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
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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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7DDP
 | | Cryo-EM structure of human ACE2 and GX/P2V/2017 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F. | | Deposit date: | 2020-10-29 | | Release date: | 2021-05-19 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin.
Embo J., 40, 2021
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7DDO
 | | Cryo-EM structure of human ACE2 and GD/1/2019 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F. | | Deposit date: | 2020-10-29 | | Release date: | 2021-05-19 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin.
Embo J., 40, 2021
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5LQF
 | | CDK1/CyclinB1/CKS2 in complex with NU6102 | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | | Deposit date: | 2016-08-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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8RKF
 | | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKE
 | | Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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5LMK
 | | Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | | Descriptor: | 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
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5II6
 | | Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution | | Descriptor: | Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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8RKH
 | | Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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7OY6
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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