7P2H
 
 | | Dimethylated fusion protein of RSL and mussel adhesion peptide (Mefp) in complex with cucurbit[7]uril, H3 sheet assembly | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | | Deposit date: | 2021-07-06 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
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8PJO
 | | Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH. | | Descriptor: | Alpha-synuclein, CHLORIDE ION | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2023
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6MTS
 | | Crystal structure of VRC43.03 Fab | | Descriptor: | Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6V8S
 | | Crystal structure of Ara h 8.0201 | | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Ara h 8 allergen isoform, SULFATE ION | | Authors: | Pote, S, Offermann, L.R, Hurlburt, B.K, McBride, J.K, Chruszcz, M. | | Deposit date: | 2019-12-12 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Ara h 8.0201
To Be Published
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6HR8
 | | HMG-CoA reductase from Methanothermococcus thermolithotrophicus in complex with NADPH at 2.9 A resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, HMG-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Wagner, T, Voegeli, B, Erb, T.J, Shima, S. | | Deposit date: | 2018-09-26 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
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6T1T
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7C05
 | | Crystal structure of human Trap1 with DN203495 | | Descriptor: | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
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8T57
 | | Structure of mechanically activated ion channel OSCA2.3 in peptidiscs | | Descriptor: | CHOLESTEROL, CSC1-like protein HYP1, PALMITIC ACID | | Authors: | Jojoa-Cruz, S, Burendei, B, Lee, W.H, Ward, A.B. | | Deposit date: | 2023-06-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure of mechanically activated ion channel OSCA2.3 reveals mobile elements in the transmembrane domain.
Structure, 32, 2024
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8T56
 | | Structure of mechanically activated ion channel OSCA1.2 in peptidiscs | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Burendei, B, Jojoa-Cruz, S, Lee, W.H, Ward, A.B. | | Deposit date: | 2023-06-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of mechanically activated ion channel OSCA2.3 reveals mobile elements in the transmembrane domain.
Structure, 32, 2024
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7BH2
 | | Cryo-EM Structure of KdpFABC in E2Pi state with BeF3 and K+ | | Descriptor: | (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L. | | Deposit date: | 2021-01-09 | | Release date: | 2021-01-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7OKW
 | | 1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y. | | Deposit date: | 2021-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
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8G74
 | | SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ... | | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | | Deposit date: | 2023-02-16 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
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7OSK
 | | Ignisphaera aggregans GH53 catalytic domain | | Descriptor: | Arabinogalactan endo-1,4-beta-galactosidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fredslund, F, Lo Leggio, L, Poulsen, J.C, Rasmussen, K.K, Muderspach, S, Krogh, K.B.R.M, Jensen, K. | | Deposit date: | 2021-06-08 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Engineering the substrate binding site of the hyperthermostable archaeal endo-beta-1,4-galactanase from Ignisphaera aggregans.
Biotechnol Biofuels, 14, 2021
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8G75
 | | SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, ... | | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | | Deposit date: | 2023-02-16 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
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8G73
 | | SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 bound at 2.5 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ... | | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | | Deposit date: | 2023-02-16 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
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6VES
 | | Human insulin analog: [GluB10,HisA8,ArgA9]-DOI | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | | Deposit date: | 2020-01-02 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes
To Be Published
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6VGC
 | | Crystal Structures of FLAP bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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8Q9N
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and MITR deacetylase binding motif mutant L151V. | | Descriptor: | DIMETHYL SULFOXIDE, DNA MADS box, MEF2D protein, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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6BCH
 | | I-LtrI E29D bound to cognate substrate (nicked complex) | | Descriptor: | DNA (26-MER), DNA (5'-D(*GP*GP*TP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*GP*GP*AP*GP*CP*AP*TP*TP*T)-3'), ... | | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | I-LtrI E29D bound to cognate substrate (nicked complex)
To Be Published
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5MDS
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6N1S
 | | Toxoplasma gondii TS-DHFR in complex with selective inhibitor 29 | | Descriptor: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | Authors: | Hopper, A.T, Brockman, A, Wise, A, Gould, J, Barks, J, Radke, J.B, Sibley, L.D, Zou, Y, Thomas, S.B. | | Deposit date: | 2018-11-11 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
J. Med. Chem., 62, 2019
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6P9Y
 | | PAC1 GPCR Receptor complex | | 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(s) subunit alpha isoforms short, ... | | Authors: | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | | Deposit date: | 2019-06-10 | | Release date: | 2020-02-05 | | Last modified: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Toward a Structural Understanding of Class B GPCR Peptide Binding and Activation.
Mol.Cell, 77, 2020
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6MTT
 | | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | | Descriptor: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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5J35
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7P40
 | | P5C3 is a potent fab neutralizer | | Descriptor: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | | Authors: | perez, L. | | Deposit date: | 2021-07-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
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