7NXK
 
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | Descriptor: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | Authors: | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7O7K
 | | Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | | Deposit date: | 2021-04-13 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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7O7I
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7O7J
 | | Crystal structure of the human HIPK3 kinase domain bound to abemaciclib | | Descriptor: | Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | | Deposit date: | 2021-04-13 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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3JVL
 | | Crystal structure of bromodomain 2 of mouse Brd4 | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromodomain-containing protein 4 | | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | | Deposit date: | 2009-09-17 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution
J.Biol.Chem., 284, 2009
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3JVK
 | | Crystal structure of bromodomain 1 of mouse Brd4 in complex with histone H3-K(ac)14 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, histone H3.3 peptide | | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | | Deposit date: | 2009-09-17 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution
J.Biol.Chem., 284, 2009
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3MUL
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3MUK
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3REB
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3REA
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3S9G
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7BAI
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7BAH
 | | Structure of RIG-I CTD bound to OH-RNA | | Descriptor: | Antiviral innate immune response receptor RIG-I, RNA (5'-R(*GP*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3'), ZINC ION | | Authors: | Anand, K, Hagelueken, G, Fusshoeller, D, Geyer, M. | | Deposit date: | 2020-12-15 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A conserved isoleucine in the RNA sensor RIG-I controls immune tolerance to mitochondrial RNA
To Be Published
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5NUI
 | | Crystal structure of SIVmac239 Nef in an ExxxLM endocytic sorting motif bound state | | Descriptor: | Protein Nef, SER-GLN-ILE-LYS-ARG-LEU-LEU-SER | | Authors: | Manrique, S, Horenkamp, F.A, Anand, K, Geyer, M. | | Deposit date: | 2017-04-30 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
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5NUH
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2L1A
 | | Solution NMR structure of the N-terminal GTPase-like domain of dictyostelium discoideum Fomin C | | Descriptor: | Formin-C | | Authors: | Dames, S.A, Schoenichen, A, Stephan, G, Geyer, M. | | Deposit date: | 2010-07-27 | | Release date: | 2011-08-17 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure, dynamics, lipid binding, and physiological relevance of the putative GTPase-binding domain of Dictyostelium formin C.
J.Biol.Chem., 286, 2011
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2GD7
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1AGP
 | | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLY-12 MUTANT OF P21-H-RAS | | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Franken, S.M, Scheidig, A.J, Wittinghofer, A, Goody, R.S. | | Deposit date: | 1993-03-29 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
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1I35
 | | SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF THE PROTEIN KINASE BYR2 FROM SCHIZOSACCHAROMYCES POMBE | | Descriptor: | PROTEIN KINASE BYR2 | | Authors: | Gronwald, W, Huber, F, Grunewald, P, Sporner, M, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R. | | Deposit date: | 2001-02-13 | | Release date: | 2001-12-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Ras binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.
Structure, 9, 2001
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7KN5
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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7KSG
 | | SARS-CoV-2 spike in complex with nanobodies E | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 glycoprotein, Spike glycoprotein | | Authors: | Hallberg, B.M, Das, H. | | Deposit date: | 2020-11-22 | | Release date: | 2021-01-20 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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7KN6
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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7KN7
 | | Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
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5ACB
 | | Crystal Structure of the Human Cdk12-Cyclink Complex | | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-08-14 | | Release date: | 2016-06-15 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
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8A90
 | | Crystal structure of FrsH | | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
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