7DTZ
 
 | | FGFR4 complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION | | Authors: | Chen, X.J, Dai, S.Y, Chen, Y.H. | | Deposit date: | 2021-01-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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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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5YP5
 | | Crystal structure of RORgamma complexed with SRC2 and compound 5d | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | | Authors: | Gao, M, Cai, W, Chunwa, C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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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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7GQT
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQU
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7UJA
 | | Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ... | | Authors: | Lees, J.A, Ammirati, M, Han, S. | | Deposit date: | 2022-03-30 | | Release date: | 2023-04-19 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
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7UJ3
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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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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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7XAF
 | | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-03-17 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.001182 Å) | | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
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7C2L
 | | S protein of SARS-CoV-2 in complex bound with 4A8 | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | Deposit date: | 2020-05-08 | | Release date: | 2020-07-01 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
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7CGW
 | | Complex structure of PD-1 and tislelizumab Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ... | | Authors: | Hong, Y, Feng, Y.C, Liu, Y. | | Deposit date: | 2020-07-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
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7FJD
 | | Cryo-EM structure of a membrane protein(WT) | | Descriptor: | CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ... | | Authors: | Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
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7FJE
 | | Cryo-EM structure of a membrane protein(LL) | | Descriptor: | CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ... | | Authors: | Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
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7FJF
 | | Cryo-EM structure of a membrane protein(CS) | | Descriptor: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ... | | Authors: | Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
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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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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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8HTX
 | | Crystal structure of BANP in complex with methylated DNA | | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP | | Authors: | Zhang, J, Min, J, Liu, K. | | Deposit date: | 2022-12-21 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
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8I7X
 | | Crystal structure of human ClpP in complex with ZG36 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2023-02-02 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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7WZS
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