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8DID	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-07-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIC	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8DIB	Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde Authors: Singh, I, Shoichet, B.K. Deposit date: 2022-06-29 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
8CA9	Cryo-EM structure of the Cibeles-Demetra 3:3 heterocomplex from Galleria mellonella saliva Descriptor: Arylphorin, COPPER (II) ION, Demetra, ... Authors: Spinola-Amilibia, M, Arias-Palomo, E. Deposit date: 2023-01-24 Release date: 2023-10-04 Method: ELECTRON MICROSCOPY (2.29 Å) Cite: Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva. Sci Adv, 9, 2023
8BF9	Molecular view of ER membrane remodeling by the Sec61/TRAP translocon. Descriptor: 60S ribosomal protein L39, Large ribosomal subunit protein eL31, Large ribosomal subunit protein eL38, ... Authors: Karki, S, Javanainen, M, Tranter, D, Rehan, S, Huiskonen, J, Happonen, L, Paavilainen, V. Deposit date: 2022-10-24 Release date: 2023-11-01 Last modified: 2023-12-20 Method: ELECTRON MICROSCOPY (2.69 Å) Cite: Molecular view of ER membrane remodeling by the Sec61/TRAP translocon. Embo Rep., 24, 2023
8AZK	Bovine 20S proteasome, untreated Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... Authors: Szenkier, N, Arie, M, Matzov, D, Sertchook, R, Carmeli, R, Cascio, P, Stanhill, A, Shalev Benami, M, Navon, A. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Bovine 20S proteasome, untreated To be published
7ZL3	Signal peptide mimicry primes Sec61 for client-selective inhibition Descriptor: Cyclic depsipeptide signal peptide mimic, Protein transport protein Sec61 subunit alpha, Protein transport protein Sec61 subunit beta, ... Authors: Rehan, S, Paavilainen O, V. Deposit date: 2022-04-13 Release date: 2023-03-22 Last modified: 2023-11-15 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Signal peptide mimicry primes Sec61 for client-selective inhibition. Nat.Chem.Biol., 19, 2023
7ZEB	Complex I from Ovis aries at pH9, Closed state Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, ... Authors: Sazanov, L, Petrova, O. Deposit date: 2022-03-30 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7ZDP	Complex I from Ovis aries at pH9, Open state Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... Authors: Sazanov, L, Petrova, O. Deposit date: 2022-03-29 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.88 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7ZDM	Complex I from Ovis aries at pH5.5, Closed state Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... Authors: Sazanov, L, Petrova, O. Deposit date: 2022-03-29 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.44 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7ZDJ	Complex I from Ovis aries at pH5.5, Open state Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Acyl carrier protein, Complex I subunit B13, ... Authors: Petrova, O, Sazanov, L. Deposit date: 2022-03-29 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.25 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7ZDH	Complex I from Ovis aries at pH7.4, Closed state Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... Authors: Sazanov, L, Petrova, O. Deposit date: 2022-03-29 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.46 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7ZD6	Complex I from Ovis aries, at pH7.4, Open state Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... Authors: Sazanov, L, Petrova, O. Deposit date: 2022-03-29 Release date: 2022-09-21 Last modified: 2022-10-05 Method: ELECTRON MICROSCOPY (3.16 Å) Cite: A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
7Z0G	CPAP:TUBULIN:IE5 ALPHAREP COMPLEX P1 SPACE GROUP Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Centromere protein J, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Gigant, B, Campanacci, V. Deposit date: 2022-02-22 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.487 Å) Cite: Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
7Z0F	CPAP:S-TUBULIN:IIH5 ALPHAREP COMPLEX Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Gigant, B, Campanacci, V. Deposit date: 2022-02-22 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.396 Å) Cite: Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
7YOB	Crystal structure of Aldehyde dehydrogenase 1A1 from mouse Descriptor: Aldehyde dehydrogenase 1A1 Authors: Zhang, X.Y, Ouyang, Z.Q. Deposit date: 2022-08-01 Release date: 2022-08-17 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Crystal structure of aldehyde dehydrogenase 1A1 from mouse. Biochem.Biophys.Res.Commun., 628, 2022
7WUO	Unravelling structure of riboflavin synthase for designing of potential anti-bacterial drug Descriptor: DI(HYDROXYETHYL)ETHER, Riboflavin synthase Authors: Aris, S.N.A.M, Leow, A.T.C, Motomura, T, Jonet, M.A. Deposit date: 2022-02-09 Release date: 2022-06-15 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.19 Å) Cite: Unraveling the crystal structure of Leptospira kmetyi riboflavin synthase and computational analyses for potential development of new antibacterials J.Mol.Struct., 2022
7VE3	Structure of the complex of sheep lactoperoxidase with hypoiodite at 2.70 A resolution Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... Authors: Singh, P.K, Yamini, S, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. Deposit date: 2021-09-07 Release date: 2021-09-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural evidence of the oxidation of iodide ion into hyper-reactive hypoiodite ion by mammalian heme lactoperoxidase. Protein Sci., 31, 2022
7Q1F	CPAP:TUBULIN:IE5 ALPHAREP COMPLEX Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CITRATE ANION, Centromere protein J, ... Authors: Campanacci, V, Gigant, b. Deposit date: 2021-10-19 Release date: 2022-04-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.347 Å) Cite: Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
7Q1E	CPAP:TUBULIN:IIH5 ALPHAREP COMPLEX Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Campanacci, V, Gigant, b. Deposit date: 2021-10-19 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
7ONI	Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2* Descriptor: Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ... Authors: Kostrhon, S.P, prabu, J.R, Schulman, B.A. Deposit date: 2021-05-25 Release date: 2021-09-15 Last modified: 2021-10-06 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation. Nat.Chem.Biol., 17, 2021
7OD1	Crystal structure of RBR ubiquitin ligase ARIH2 Descriptor: E3 ubiquitin-protein ligase ARIH2, ZINC ION Authors: Kostrhon, S.P, Prabu, J.R, Schulman, B.A. Deposit date: 2021-04-28 Release date: 2021-09-15 Last modified: 2021-10-06 Method: X-RAY DIFFRACTION (2.45 Å) Cite: CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation. Nat.Chem.Biol., 17, 2021
7NF8	Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Lee, Y, Kuehlbrandt, W. Deposit date: 2021-02-05 Release date: 2022-01-19 Last modified: 2022-06-08 Method: ELECTRON MICROSCOPY (2.83 Å) Cite: Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
7NF7	Ovine rBAT ectodomain homodimer, asymmetric unit Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Lee, Y, Kuehlbrandt, W. Deposit date: 2021-02-05 Release date: 2022-01-19 Last modified: 2022-06-01 Method: ELECTRON MICROSCOPY (2.68 Å) Cite: Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
7NF6	Ovine b0,+AT-rBAT heterodimer Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Lee, Y, Kuehlbrandt, W. Deposit date: 2021-02-05 Release date: 2022-01-19 Last modified: 2022-06-01 Method: ELECTRON MICROSCOPY (3.05 Å) Cite: Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022

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