PDB: 220760 resultsInfo pagesStatus searchChemie searchBIRD

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8P46	IPNS variant N252D in complex with Fe and IPN after O2 exposure Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-05-19 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.77 Å) Cite: IPNS variant N252D in complex with Fe and IPN after O2 exposure To Be Published
8P47	IPNS variant N252A in complex with Fe and ACV under anaerobic conditions Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-05-19 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.56 Å) Cite: IPNS variant N252A in complex with Fe and ACV under anaerobic conditions To Be Published
8P48	IPNS variant N252D in complex with Fe and ACV under anaerobic conditions Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-05-19 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.63 Å) Cite: IPNS variant N252D in complex with Fe and ACV under anaerobic conditions To Be Published
8P5G	Kinase domain of wild type human ULK1 in complex with compound CCT241533 Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.019 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5H	Kinase domain of mutant human ULK1 in complex with compound CCT241533 Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.941 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5I	Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 Descriptor: 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.829 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5J	Kinase domain of mutant human ULK1 in complex with compound WZ4003 Descriptor: MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.164 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5K	Kinase domain of mutant human ULK1 in complex with compound MRT68921 Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.209 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5L	Kinase domain of mutant human ULK1 in complex with compound MRT67307 Descriptor: MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 Authors: Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.836 Å) Cite: Crystal structures of ULK1 in complex with KCGS compounds To Be Published
8P5M	SARS-CoV-2 Spike RBD in complex with Mab-23 (Fab) Descriptor: Mab-23 (Heavy chain variable domain), Mab-23 (Light chain variable domain), Spike protein S1 Authors: Das, H, Hallberg, B.M. Deposit date: 2023-05-24 Release date: 2024-06-05 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: SARS-CoV-2 Spike RBD in complex with Mab-23 (Fab domains) To Be Published
8PI3	Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... Authors: Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. Deposit date: 2023-06-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins To Be Published, 2024
8PNZ	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PO0	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.523 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PO2	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PO4	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R] Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ... Authors: Hargreaves, D. Deposit date: 2023-07-03 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.621 Å) Cite: Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 2024
8PWU	PfRH5 bound to monoclonal antibody MAD10-255 Descriptor: Reticulocyte-binding protein homolog 5, monoclonal antibody MAD10-255 Authors: Farrell, B, Higgins, M.K. Deposit date: 2023-07-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (3.148 Å) Cite: PfRH5 bound to monoclonal antibody MAD10-255 To Be Published
8PWV	PfRH5 bound to monoclonal antibody MAD8-502 Descriptor: Reticulocyte-binding protein homolog 5, monoclonal antibody MAD8-502 Authors: Farrell, B, Higgins, M.K. Deposit date: 2023-07-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (2.07 Å) Cite: PfRH5 bound to monoclonal antibody MAD8-502 To Be Published
8PWW	PfRH5 bound to monoclonal antibody MAD8-151 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Farrell, B, Higgins, M.K. Deposit date: 2023-07-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.945 Å) Cite: PfRH5 bound to monoclonal antibody MAD8-151 To Be Published
8PWX	PfRH5 bound to monoclonal antibody R5.008 Descriptor: GLYCEROL, Reticulocyte-binding protein homolog 5, scFv fragment for antibody R5.008 Authors: Farrell, B, Higgins, M.K. Deposit date: 2023-07-21 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (3.2 Å) Cite: PfRH5 bound to monoclonal antibody R5.008 To Be Published
8Q0A	Inward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM. Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... Authors: Grba, D.N, Hirst, J. Deposit date: 2023-07-28 Release date: 2024-06-05 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I Science, 2024
8Q0F	Inward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM. Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... Authors: Grba, D.N, Hirst, J. Deposit date: 2023-07-28 Release date: 2024-06-05 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I Science, 2024
8Q0J	Inward-facing, slack proteoliposome complex I at 3.8 A. Initially purified in DDM. Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... Authors: Grba, D.N, Hirst, J. Deposit date: 2023-07-28 Release date: 2024-06-05 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I Science, 2024
8Q0M	Outward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM. Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... Authors: Grba, D.N, Hirst, J. Deposit date: 2023-07-28 Release date: 2024-06-05 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I Science, 2024

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