6MQ3
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![BU of 6mq3 by Molmil](/molmil-images/mine/6mq3) | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocycle Inhibitor 63 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Insulin-degrading enzyme, {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol | Authors: | Tan, G.A, Seeliger, M.A, Welsh, A.J, Maianti, J.P, Liu, D.R. | Deposit date: | 2018-10-09 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.569147 Å) | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat.Chem.Biol., 15, 2019
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7PPR
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7Q6I
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![BU of 7q6i by Molmil](/molmil-images/mine/7q6i) | Vibrio maritimus FtsA 1-396 ATP and FtsN 1-29, bent tetramers in double filament arrangement | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, Cell division protein FtsN (polyAla model), ... | Authors: | Nierhaus, T, Kureisaite-Ciziene, D, Lowe, J. | Deposit date: | 2021-11-07 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN. Nat Microbiol, 7, 2022
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6XJQ
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![BU of 6xjq by Molmil](/molmil-images/mine/6xjq) | Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate | Descriptor: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ... | Authors: | Koirala, D, Piccirilli, J.A. | Deposit date: | 2020-06-24 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Structural basis for substrate binding and catalysis by a self-alkylating ribozyme. Nat.Chem.Biol., 18, 2022
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6XJW
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7ALN
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![BU of 7aln by Molmil](/molmil-images/mine/7aln) | Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D. | Deposit date: | 2020-10-06 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity. Nat Commun, 12, 2021
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6UVY
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![BU of 6uvy by Molmil](/molmil-images/mine/6uvy) | BACE-1 in complex with compound #18 | Descriptor: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-04 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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7POA
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![BU of 7poa by Molmil](/molmil-images/mine/7poa) | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase. Acs Sustain Chem Eng, 11, 2023
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7STD
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![BU of 7std by Molmil](/molmil-images/mine/7std) | SCYTALONE DEHYDRATASE PLUS INHIBITOR 4 | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | Deposit date: | 1999-02-11 | Release date: | 1999-12-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH. Proteins, 35, 1999
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6N1Y
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![BU of 6n1y by Molmil](/molmil-images/mine/6n1y) | Structure of L509V CAO1 - growth condition 1 | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | Authors: | Khadka, N, Kiser, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases. J.Biol.Chem., 294, 2019
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6N4P
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5MJM
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![BU of 5mjm by Molmil](/molmil-images/mine/5mjm) | Single-shot pink beam serial crystallography: Phycocyanin (Five chips merged) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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8T2J
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5MLU
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![BU of 5mlu by Molmil](/molmil-images/mine/5mlu) | Crystal structure of the PFV GAG CBS bound to a mononucleosome | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Pye, V.E, Maskell, D.P, Lesbats, P, Cherepanov, P. | Deposit date: | 2016-12-07 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for spumavirus GAG tethering to chromatin. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6N21
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![BU of 6n21 by Molmil](/molmil-images/mine/6n21) | Structure of wild-type CAO1 | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | Authors: | Khadka, N, Kiser, P.D. | Deposit date: | 2018-11-12 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases. J.Biol.Chem., 294, 2019
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6V1S
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![BU of 6v1s by Molmil](/molmil-images/mine/6v1s) | Structure of the Clostridioides difficile transferase toxin | Descriptor: | ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION | Authors: | Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B. | Deposit date: | 2019-11-21 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme. Proc.Natl.Acad.Sci.USA, 117, 2020
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6MSP
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![BU of 6msp by Molmil](/molmil-images/mine/6msp) | De novo Designed Protein Foldit3 | Descriptor: | De novo Designed Protein Foldit3 | Authors: | Liu, G, Ishida, Y, Swapna, G.V.T, Kleinfelter, S, Koepnick, B, Baker, D, Montelione, G.T. | Deposit date: | 2018-10-17 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo protein design by citizen scientists. Nature, 570, 2019
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7N2M
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![BU of 7n2m by Molmil](/molmil-images/mine/7n2m) | Crystal structure of DNA polymerase alpha catalytic core in complex with dCTP and template/primer having T-C mismatch at the post-insertion site | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*T*AP*GP*TP*CP*GP*CP*TP*CP*CP*AP*GP*GP*C)-3'), DNA polymerase alpha catalytic subunit, ... | Authors: | Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D. | Deposit date: | 2021-05-29 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional insight into mismatch extension by human DNA polymerase alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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6N9L
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![BU of 6n9l by Molmil](/molmil-images/mine/6n9l) | Crystal structure of T. maritima UvrA d117-399 with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, UvrABC system protein A, ZINC ION | Authors: | Hartley, S, Case, B, Osuga, M, Hingorani, M.M, Jeruzalmi, D. | Deposit date: | 2018-12-03 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The ATPase mechanism of UvrA2 reveals the distinct roles of proximal and distal ATPase sites in nucleotide excision repair. Nucleic Acids Res., 47, 2019
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6P8D
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5K56
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![BU of 5k56 by Molmil](/molmil-images/mine/5k56) | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structural studies of human muscle FBPase To Be Published
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5K6B
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![BU of 5k6b by Molmil](/molmil-images/mine/5k6b) | Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION | Authors: | Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-24 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.981 Å) | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
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6MNM
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![BU of 6mnm by Molmil](/molmil-images/mine/6mnm) | 6256 TCR bound to I-Ab Padi4 | Descriptor: | 6256 TCR alpha chain, 6256 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | Deposit date: | 2018-10-02 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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6VHA
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![BU of 6vha by Molmil](/molmil-images/mine/6vha) | Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | Descriptor: | Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-09 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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7Q1R
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![BU of 7q1r by Molmil](/molmil-images/mine/7q1r) | A de novo designed homo-dimeric antiparallel coiled coil apCC-Di | Descriptor: | ETHANOL, SODIUM ION, apCC-Di | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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