8GZ9
 
 | | Cryo-EM structure of Abeta2 fibril polymorph2 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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8GZ8
 | | Cryo-EM structure of Abeta2 fibril polymorph1 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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7VJL
 | | The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2021-09-28 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.900173 Å) | | Cite: | Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
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2Q8O
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5VKC
 | | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | | Descriptor: | 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Judge, R.A, Souers, A.J. | | Deposit date: | 2017-04-21 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
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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: | 2022-03-23 | | 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: | 2022-03-23 | | 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: | 2022-03-23 | | 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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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: | 2022-03-23 | | 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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6NFX
 | | MBTD1 MBT repeats | | Descriptor: | GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ... | | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-21 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
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8XEP
 | | Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | | Descriptor: | SULFATE ION, Type IV effector MavL, Ubiquitin | | Authors: | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | | Deposit date: | 2023-12-12 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
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8W5C
 | | Crystal structure of FGFR4 kinase domain in complex with 8K | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Zhang, Z.M, Huang, H.S. | | Deposit date: | 2023-08-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8GUG
 | | Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus | | Descriptor: | DUF2384 domain-containing protein, RES domain-containing protein | | Authors: | Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z. | | Deposit date: | 2022-09-12 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
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4TLL
 | | Crystal structure of GluN1/GluN2B NMDA receptor, structure 1 | | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ... | | Authors: | Gouaux, E, Lee, C.-H, Lu, W. | | Deposit date: | 2014-05-30 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
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4TLM
 | | Crystal structure of GluN1/GluN2B NMDA receptor, structure 2 | | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ... | | Authors: | Gouaux, E, Lee, C.-H, Lu, W. | | Deposit date: | 2014-05-30 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.77 Å) | | Cite: | NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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8Y22
 | | FGFR1 kinase domain with a covalent inhibitor 9g | | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | | Authors: | Chen, X.J, Chen, Y.H. | | Deposit date: | 2024-01-25 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.792 Å) | | Cite: | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
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8XZ7
 | | FGFR1 kinase domain with a covalent inhibitor 10h | | Descriptor: | 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Chen, X.J, Chen, Y.H. | | Deposit date: | 2024-01-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024
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3FI3
 | | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E, Duckett, D, LoGrasso, P. | | Deposit date: | 2008-12-10 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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3FI2
 | | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E. | | Deposit date: | 2008-12-10 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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8HOG
 | | Crystal structure of Bcl-2 in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOH
 | | Crystal structure of Bcl-2 G101V in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOI
 | | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8JBJ
 | | Crystal structure of anti-PVRIG Fab | | Descriptor: | antibody heavy chain, antibody light chain | | Authors: | Sun, J, Li, X.L, Song, J. | | Deposit date: | 2023-05-09 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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