8EFR
| CryoEM of the soluble OPA1 interfaces with GDP-AlFx bound from the helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-09 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
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8V04
| High resolution TMPRSS2 structure following acylation by nafamostat | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C. | Deposit date: | 2023-11-16 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat To Be Published
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8OR9
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6B5C
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6F68
| Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone | Descriptor: | (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2017-12-05 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
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2ZJK
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8VQ1
| Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2024-01-17 | Release date: | 2024-02-21 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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8VPW
| Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2024-01-17 | Release date: | 2024-02-21 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography. Sci Adv, 10, 2024
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6EX7
| Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | Authors: | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | Deposit date: | 2017-11-07 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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8ORA
| Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | Descriptor: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | Authors: | Bisello, G, Perduca, M, Bertoldi, M. | Deposit date: | 2023-04-13 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency. Protein Sci., 32, 2023
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4QXX
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8H7C
| Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative | Descriptor: | ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ... | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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6ZQP
| Structure of the Pmt2-MIR domain with bound ligands | Descriptor: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | Deposit date: | 2020-07-10 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
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6EUQ
| MdfA(Q131R/L339E) | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ... | Authors: | Tam, H.K, Zomot, E, Bibi, E, Pos, K.M. | Deposit date: | 2017-10-31 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter. J. Mol. Biol., 430, 2018
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8F46
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F44
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8J2F
| Human neutral shpingomyelinase | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | Authors: | Zhang, S.S. | Deposit date: | 2023-04-14 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2). Nat Commun, 14, 2023
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8EXH
| Agrobacterium tumefaciens Tpilus | Descriptor: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2 | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-10-25 | Release date: | 2023-03-22 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery Nat Commun, 14, 2023
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6F9V
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6ZT8
| X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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8OJU
| Crystal structure of the human IgD Fab - structure Fab3 | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | Deposit date: | 2023-03-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity. Mol.Immunol., 159, 2023
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7A7L
| rsEGFP in the green-off state | Descriptor: | Green fluorescent protein, TETRAETHYLENE GLYCOL | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | Deposit date: | 2020-08-30 | Release date: | 2021-02-17 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*. Angew.Chem.Int.Ed.Engl., 60, 2021
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6EZT
| Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase D437A inactive mutant from Vibrio harveyi | Descriptor: | Beta-N-acetylglucosaminidase Nag2, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | Authors: | Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W. | Deposit date: | 2017-11-16 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi To Be Published
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5N9M
| Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation | Descriptor: | Cobyric acid synthase, GLUTAMINE, TETRAETHYLENE GLYCOL | Authors: | Leisico, F, Vieira, D, Romao, M.R, Trincao, J, Santos-Silva, T. | Deposit date: | 2017-02-25 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First insights of peptidoglycan amidation in Gram-positive bacteria - the high-resolution crystal structure of Staphylococcus aureus glutamine amidotransferase GatD. Sci Rep, 8, 2018
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4QUU
| Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-12 | Release date: | 2014-07-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells. J Mol Cell Biol, 8, 2016
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