PDB: 223790 resultsInfo pagesStatus searchChemie searchBIRD

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7C42	The crystal structure of Trypanosoma brucei RNase D Descriptor: CCHC-type domain-containing protein, ZINC ION Authors: Gao, Y.Q, Gan, J.H. Deposit date: 2020-05-14 Release date: 2021-04-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei. Nucleic Acids Res., 49, 2021
8PVB	Structure of GABAAR determined by cryoEM at 100 keV Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... Authors: McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. Deposit date: 2023-07-17 Release date: 2023-11-29 Last modified: 2024-01-31 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
6DEO	Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron methyl Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, CARBON DIOXIDE, ... Authors: Garcia, M.D, Guddat, L.W. Deposit date: 2018-05-12 Release date: 2018-09-26 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.971 Å) Cite: Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DEY	Aspartylglucosaminuria mutant structure and function Descriptor: Glycosylasparaginase, residues 188-331, residues 38-178 Authors: Pande, S, Laksminarasimhan, D, Guo, H.C. Deposit date: 2018-05-13 Release date: 2018-08-01 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Biochemical and structural insights into an allelic variant causing the lysosomal storage disorder - aspartylglucosaminuria. FEBS Lett., 592, 2018
6DVV	2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+. Descriptor: 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2018-06-25 Release date: 2018-07-18 Last modified: 2023-06-14 Method: X-RAY DIFFRACTION (2.25 Å) Cite: A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
6DW7	SAMHD1 without Catalytic Nucleotides Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ... Authors: Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. Deposit date: 2018-06-26 Release date: 2018-10-10 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWR	Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... Authors: Luo, M, Eaton, C.N, Phillips-Piro, C.M. Deposit date: 2018-06-27 Release date: 2019-07-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.319 Å) Cite: Paired Spectroscopic and Crystallographic Studies of Protease Active Sites Chemistryselect, 4, 2019
6DX1	Crystal structure of the viral OTU domain protease from Qalyub virus Descriptor: RNA-dependent RNA polymerase Authors: Dzimianski, J.V, Beldon, B.S, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. Deposit date: 2018-06-28 Release date: 2018-12-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.652 Å) Cite: Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity. PLoS Pathog., 15, 2019
6DEQ	Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... Authors: Garcia, M.D, Guddat, L.W. Deposit date: 2018-05-12 Release date: 2018-09-26 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.127 Å) Cite: Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7C46	Crystal Structure of Rv1045 toxin point variant K189A Descriptor: Rv1045 toxin, SULFATE ION Authors: Deep, A, Kaur, J, Thakur, K.G. Deposit date: 2020-05-15 Release date: 2021-05-26 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Crystal Structure of Rv1045 toxin point variant K189A To Be Published
6YDG	X-ray structure of LPMO Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... Authors: Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. Deposit date: 2020-03-20 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases. Biochemistry, 59, 2020
7CEN	an x-ray structure of ferric L29E Mb in complex with Mg(II) Descriptor: MAGNESIUM ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE Authors: Yuan, H, Lin, Y.W. Deposit date: 2020-06-23 Release date: 2021-06-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: an x-ray structure of ferric L29E Mb in complex with Mg(II) To Be Published
7CEZ	An x-ray structure of G5K/Q8K/A19K/V21K Mb mutant with a positive charge Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE Authors: Yuan, H, Lin, Y.W. Deposit date: 2020-06-24 Release date: 2021-06-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.57 Å) Cite: An x-ray structure of G5K/Q8K/A19K/V21K Mb mutant with a positive charge To Be Published
7COE	Crystal structure of Receptor binding domain of MERS-CoV and KNIH90-F1 Fab complex Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... Authors: Lee, J.Y, Song, J.Y, Lee, H.S, Hong, E, Jang, T.H. Deposit date: 2020-08-04 Release date: 2021-08-04 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.05 Å) Cite: The structure of a novel antibody against the spike protein inhibits Middle East respiratory syndrome coronavirus infections. Sci Rep, 12, 2022
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 Last modified: 2024-06-19 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., 67, 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 Last modified: 2024-06-19 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., 67, 2024
7CTH	Cryo-EM structure of dengue virus serotype 2 in complex with the scFv fragment of the broadly neutralizing antibody EDE1 C10 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, Single Chain Variable Fragment Authors: Zhang, X, Sharma, A, Duquerroy, S, Zhou, Z.H, Rey, F.A. Deposit date: 2020-08-19 Release date: 2021-12-01 Last modified: 2022-02-16 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
8PTV	IPNS variant N252Q 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: 2023-07-15 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: IPNS variant N252Q in complex with Fe and ACV under anaerobic conditions To Be Published
8PY5	Isopenicillin N synthase in complex with Fe and ACdV 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: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Isopenicillin N synthase in complex with Fe and ACdV under anaerobic conditions To Be Published
8PY9	Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure To Be Published
8PY7	Isopenicillin N synthase in complex with Fe, ACdV and O2 after 1s O2 exposure Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Isopenicillin N synthase in complex with Fe, ACdV and O2 after 1s O2 exposure To Be Published
8Q1D	D10N variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... Authors: Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. Deposit date: 2023-07-31 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase. Commun Biol, 7, 2024
8PY6	Isopenicillin N synthase in complex with Fe and ACdV 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: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Isopenicillin N synthase in complex with Fe and ACdV under anaerobic conditions To Be Published
8PY8	Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure To Be Published
8PYA	Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ... Authors: Rabe, P, Schofield, C.J. Deposit date: 2023-07-25 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure To Be Published

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