6D84
 
 | | Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer | | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | Authors: | Buffalo, C.Z, Morris, K.L, Hurley, J.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.72 Å) | | Cite: | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
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6D83
 | | Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer monomeric subunit | | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | Authors: | Buffalo, C.Z, Morris, K.L, Hurley, J.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
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6OWT
 | | Structure of SIVsmm Nef and SMM tetherin bound to the clathrin adaptor AP-2 complex | | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit sigma, ... | | Authors: | Buffalo, C.Z, Ren, X, Hurley, J.H. | | Deposit date: | 2019-05-10 | | Release date: | 2019-09-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural Basis for Tetherin Antagonism as a Barrier to Zoonotic Lentiviral Transmission.
Cell Host Microbe, 26, 2019
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5D10
 | | Kinase domain of cSrc in complex with RL236 | | Descriptor: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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5D12
 | | Kinase domain of cSrc in complex with RL40 | | Descriptor: | N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Richters, A, Engel, J, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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5D11
 | | Kinase domain of cSrc in complex with RL235 | | Descriptor: | GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Becker, C, Gruetter, C, Engel, J, Rauh, D. | | Deposit date: | 2015-08-03 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
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8PFP
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6ZMO
 | | SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZMI
 | | SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-02 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZM7
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-01 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZMT
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZME
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-02 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZLW
 | | SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-01 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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3QTI
 | | c-Met Kinase in Complex with NVP-BVU972 | | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ... | | Authors: | Appleton, B.A. | | Deposit date: | 2011-02-22 | | Release date: | 2011-07-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
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8PFL
 | | Crystal structure of WRN helicase domain in complex with 3 | | Descriptor: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | Authors: | Scheufler, C, Meyer, M, Moebitz, H. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
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8PFO
 | | Crystal structure of WRN helicase domain in complex with HRO761 | | Descriptor: | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | | Authors: | Scheufler, C, Meyer, M, Moebitz, H. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
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2Q11
 | | Structure of BACE complexed to compound 1 | | Descriptor: | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1 | | Authors: | Sharff, A.J. | | Deposit date: | 2007-05-23 | | Release date: | 2007-08-14 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
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2Q15
 | | Structure of BACE complexed to compound 3a | | Descriptor: | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1 | | Authors: | Sharff, A.J. | | Deposit date: | 2007-05-23 | | Release date: | 2007-08-14 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
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2B3A
 | | Solution structure of the Ras-binding domain of the Ral Guanosine Dissociation Stimulator | | Descriptor: | Ral guanine nucleotide dissociation stimulator | | Authors: | Gronwald, W, Maurer, T, Fuechsl, R, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R. | | Deposit date: | 2005-09-20 | | Release date: | 2006-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | New insights into binding of the possible cancer target RalGDS
To be Published
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3SD5
 | | Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine | | Descriptor: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2011-06-08 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Identification and Characterization of NVP-BKM120, an Orally Available Pan-Class I PI3-Kinase Inhibitor.
Mol.Cancer Ther., 11, 2012
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6GFC
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6GJK
 | | A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | | Descriptor: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
Biochim Biophys Acta Gen Subj, 1863, 2019
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6GFB
 | | Structure of the BTB/POZ domain of human 90K | | Descriptor: | Galectin-3-binding protein, ZINC ION | | Authors: | Ssebyatika, G, Krey, T. | | Deposit date: | 2018-04-29 | | Release date: | 2018-05-09 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Antiviral Activity of the Cellular Glycoprotein LGALS3BP/90K Is Species Specific.
J. Virol., 92, 2018
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6ZON
 | | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1 | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-07 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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6ZN5
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2 | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
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