7FDI
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![BU of 7fdi by Molmil](/molmil-images/mine/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
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![BU of 7fdg by Molmil](/molmil-images/mine/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
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![BU of 7gqt by Molmil](/molmil-images/mine/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
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![BU of 7gqu by Molmil](/molmil-images/mine/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
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![BU of 7gqs by Molmil](/molmil-images/mine/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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7VJL
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![BU of 7vjl by Molmil](/molmil-images/mine/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
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![BU of 7xaf by Molmil](/molmil-images/mine/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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8GUG
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![BU of 8gug by Molmil](/molmil-images/mine/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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4U8Z
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![BU of 4u8z by Molmil](/molmil-images/mine/4u8z) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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7C2L
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![BU of 7c2l by Molmil](/molmil-images/mine/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
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![BU of 7cgw by Molmil](/molmil-images/mine/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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6KTC
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![BU of 6ktc by Molmil](/molmil-images/mine/6ktc) | Crystal structure of YBX1 CSD with m5C RNA | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3') | Authors: | Zou, F, Li, S. | Deposit date: | 2019-08-27 | Release date: | 2020-02-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KUG
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![BU of 6kug by Molmil](/molmil-images/mine/6kug) | Crystal structure of YBX1 CSD with RNA | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3') | Authors: | Zou, F, Li, S. | Deposit date: | 2019-09-02 | Release date: | 2020-02-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs. Proc.Natl.Acad.Sci.USA, 117, 2020
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7X3Z
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![BU of 7x3z by Molmil](/molmil-images/mine/7x3z) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, T, Lin, S.X, Yin, H. | Deposit date: | 2022-03-01 | Release date: | 2023-01-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1. J.Steroid Biochem.Mol.Biol., 228, 2023
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8GZ8
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![BU of 8gz8 by Molmil](/molmil-images/mine/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
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![BU of 8gz9 by Molmil](/molmil-images/mine/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
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![BU of 8htx by Molmil](/molmil-images/mine/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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7YUK
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![BU of 7yuk by Molmil](/molmil-images/mine/7yuk) | Complex structure of BANP BEN domain bound to DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 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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7YUG
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![BU of 7yug by Molmil](/molmil-images/mine/7yug) | Structure of human BANP BEN domain | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 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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7YUL
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![BU of 7yul by Molmil](/molmil-images/mine/7yul) | Crystal structure of human BEND6 BEN domain in complex with DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 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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7YUN
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![BU of 7yun by Molmil](/molmil-images/mine/7yun) | Crystal structure of human BEND6 BEN domain in complex with methylated DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3') | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.13 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
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![BU of 8i7x by Molmil](/molmil-images/mine/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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![BU of 7wzs by Molmil](/molmil-images/mine/7wzs) | |
6J92
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![BU of 6j92 by Molmil](/molmil-images/mine/6j92) | |