6MB3
 
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6P2F
 | | Structure of a nested set of N-terminally extended MHC I-peptides provides novel insights into antigen processing and presentation | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ... | | Authors: | Li, L, Batliwala, M, Bouvier, M. | | Deposit date: | 2019-05-21 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | ERAP1 enzyme-mediated trimming and structural analyses of MHC I-bound precursor peptides yield novel insights into antigen processing and presentation.
J.Biol.Chem., 294, 2019
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8DY5
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7A4I
 | | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 | | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Tetter, S, Hilvert, D. | | Deposit date: | 2020-08-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.04 Å) | | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
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7MH9
 | | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-nitrotyrosine | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | | Deposit date: | 2021-04-14 | | Release date: | 2021-12-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6PFN
 | | Succinyl-CoA synthase from Francisella tularensis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-06-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Succinyl-CoA synthase from Francisella tularensis
to be published
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6ZVQ
 | | Complex between SMAD2 MH2 domain and peptide from Ski corepressor | | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, Mothers against decapentaplegic homolog 2, ... | | Authors: | Purkiss, A.G, Kjaer, S, George, R, Hill, C.S. | | Deposit date: | 2020-07-27 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mutations in SKI in Shprintzen-Goldberg syndrome lead to attenuated TGF-beta responses through SKI stabilization.
Elife, 10, 2021
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7MT5
 | | Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ... | | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6MBV
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8DY0
 | | Crystal Structure of spFv GLK1 HL | | Descriptor: | spFv GLK1 HL | | Authors: | Luo, J, Boucher, L.E. | | Deposit date: | 2022-08-03 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
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6TXE
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6UXO
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Bcl-2 homologous antagonist/killer, ... | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-11-07 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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7MPZ
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6PGE
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6ZWI
 | | Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide) | | Descriptor: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Da Silva, O, Nachon, F, Dias, J, Brazzolotto, X. | | Deposit date: | 2020-07-28 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
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8DZQ
 | | momSalB bound Kappa Opioid Receptor in complex with GoA | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | Authors: | Fay, J.F, Che, T. | | Deposit date: | 2022-08-08 | | Release date: | 2023-05-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
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6MA5
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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8E6M
 | | X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an inward-open, cadmium-bound state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Ray, S, Gaudet, R. | | Deposit date: | 2022-08-22 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | High-resolution structures with bound Mn 2+ and Cd 2+ map the metal import pathway in an Nramp transporter.
Elife, 12, 2023
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6MAR
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6UY5
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6ZWE
 | | Crystal structure of human acetylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide) | | Descriptor: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Da Silva, O, Dias, J, Nachon, F, Brazzolotto, X. | | Deposit date: | 2020-07-28 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
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6P2P
 | | Tetrameric structure of ACAT1 | | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | | Authors: | Yan, N, Qian, H.W. | | Deposit date: | 2019-05-21 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1.
Nature, 581, 2020
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7MLG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | | Deposit date: | 2021-04-28 | | Release date: | 2021-12-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors.
Eur.J.Med.Chem., 229, 2021
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6MBD
 | | Human Mcl-1 in complex with the designed peptide dM1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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6ZUF
 | | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | | Deposit date: | 2020-07-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity.
Sci Adv, 7, 2021
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