7YC9
 
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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7WG6
 | | Neutral Omicron Spike Trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Cui, Z, Wang, X. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-18 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7DX4
 | | The structure of FC08 Fab-hA.CE2-RBD complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ... | | Authors: | Cao, L, Wang, X. | | Deposit date: | 2021-01-18 | | Release date: | 2021-04-21 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
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6O9O
 | | Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 | | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Elkins, P.A, Wang, L. | | Deposit date: | 2019-03-14 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.586 Å) | | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors
To be published
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7FDG
 | | SARS-COV-2 Spike RBDMACSp6 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDK
 | | SARS-COV-2 Spike RBDMACSp36 binding to mACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDH
 | | SARS-COV-2 Spike RBDMACSp25 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7FDI
 | | SARS-COV-2 Spike RBDMACSp36 binding to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Wang, X, Cao, L. | | Deposit date: | 2021-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
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7D4G
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7CWU
 | | SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, X, Wang, N. | | Deposit date: | 2020-08-31 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
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8JAJ
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8JAN
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2I3H
 | | Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | | Authors: | Fairbrother, W.J, Franklin, M.C. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
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2I3I
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fairbrother, W.J, Franklin, M.C. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
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8J00
 | | Human KCNQ2-CaM in complex with CBD | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8IZY
 | | Human KCNQ2-CaM in complex with HN37 | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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5OVQ
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7K75
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7K76
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8J05
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8J03
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8J04
 | | Human KCNQ2-CaM-HN37 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J02
 | | Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J01
 | | Human KCNQ2-CaM in complex with CBD and PIP2 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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7KC1
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