5MFL
 
 | | Designed armadillo repeat protein (KR)5_GS10_YIIIM6AII | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (KR)5_GS10_YIIIM6AII, 1,2-ETHANEDIOL, ... | | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
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5MFW
 | | Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ... | | Authors: | Larsen, A.P, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
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5MG0
 | | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
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6P9X
 | | CRF1 Receptor Gs GPCR protein complex with CRF1 peptide | | Descriptor: | Corticoliberin, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 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 (2.91 Å) | | Cite: | Toward a Structural Understanding of Class B GPCR Peptide Binding and Activation.
Mol.Cell, 77, 2020
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5MDI
 | | Crystal structure of TDP-43 N-terminal domain at 2.1 A resolution | | Descriptor: | ACETATE ION, TAR DNA-binding protein 43 | | Authors: | Afroz, T, Hock, E.-M, Ernst, P, Foglieni, C, Jambeau, M, Gilhespy, L, Laferriere, F, Maniecka, Z, Plueckthun, A, Mittl, P, Paganetti, P, Allain, F.H.T, Polymenidou, M. | | Deposit date: | 2016-11-11 | | Release date: | 2017-07-05 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation.
Nat Commun, 8, 2017
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5MDL
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | | Authors: | Kalms, J, Schmidt, A, Scheerer, P. | | Deposit date: | 2016-11-11 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6YHL
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6PHO
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6OZU
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7ZX0
 | | Crystal structure of Pol theta polymerase domain in complex with compound 5 | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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6YPD
 | | Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) | | Descriptor: | (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-04-15 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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4XMK
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7ZX1
 | | Crystal structure of Pol theta polymerase domain in complex with compound 22 | | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.829 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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8D3L
 | | Type I-C Cas4-Cas1-Cas2 complex bound to a PAM/PAM prespacer | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endonuclease Cas2, CRISPR-associated exonuclease Cas4, ... | | Authors: | Dhingra, Y, Suresh, S.K, Juneja, P, Sashital, D.G. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | PAM binding ensures orientational integration during Cas4-Cas1-Cas2-mediated CRISPR adaptation.
Mol.Cell, 82, 2022
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7AU5
 | | Tubulin-noscapine-analogue-14e complex | | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | | Deposit date: | 2020-11-02 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure.
Chemmedchem, 16, 2021
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6SGA
 | | Body domain of the mt-SSU assemblosome from Trypanosoma brucei | | Descriptor: | 9S rRNA, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-18 | | Last modified: | 2019-09-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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5MQL
 | | Crystal structure of dCK mutant C3S in complex with masitinib and UDP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | | Authors: | Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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6PHK
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8FWG
 | | Structure of neck and portal vertex of Agrobacterium phage Milano, C5 symmetry | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-22 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8TZZ
 | | SpG Cas9 with NGC PAM DNA target | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*CP*GP*TP*TP*TP*GP*TP*AP*CP*TP*GP*CP*AP*GP*CP*G)-3'), DNA (5'-D(P*TP*CP*TP*CP*AP*TP*CP*TP*TP*TP*AP*TP*GP*CP*GP*TP*C)-3'), ... | | Authors: | Bravo, J.P.K, Hibshman, G.N, Taylor, D.W. | | Deposit date: | 2023-08-28 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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8U3Y
 | | SpG Cas9 with NGG PAM DNA target | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*CP*GP*TP*TP*TP*GP*TP*AP*CP*TP*CP*CP*AP*GP*CP*G)-3'), DNA (5'-D(P*TP*CP*TP*CP*AP*TP*CP*TP*TP*TP*AP*TP*GP*CP*GP*TP*C)-3'), ... | | Authors: | Bravo, J.P.K, Hibshman, G.N, Taylor, D.W. | | Deposit date: | 2023-09-08 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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7SXM
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6V2P
 | | HLA-B*57:03 presenting the peptide ASLNLPAVSW | | Descriptor: | ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2019-11-25 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6XVY
 | | Human myelin protein P2 mutant R88Q | | Descriptor: | CHLORIDE ION, CITRIC ACID, Myelin P2 protein, ... | | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | | Deposit date: | 2020-01-22 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
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6XXI
 | | Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2020-01-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
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