8JNB
 
 | | CRAF ras-binding domain chimera, ligand complex | | Descriptor: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | | Authors: | Kawamura, T, Kumasaka, T. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
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9FZB
 | | Human p53 DNA-binding domain bound to DARPin C10-H82R | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DARPin C10-H82R, ... | | Authors: | Yuksel, B, Balourdas, D.I, Muenick, P, Knapp, S, Doetsch, V, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-07-05 | | Release date: | 2025-04-02 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | DARPin-induced reactivation of p53 in HPV-positive cells.
Nat.Struct.Mol.Biol., 32, 2025
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7Z65
 | | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases | | Descriptor: | 1,2-ETHANEDIOL, Chitinase, GH18 family | | Authors: | Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G. | | Deposit date: | 2022-03-11 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.108 Å) | | Cite: | A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
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9LAK
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9LBA
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7BPI
 | | The crystal structue of PDE10A complexed with 14 | | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2020-03-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4000864 Å) | | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension.
Acta Pharm Sin B, 10, 2020
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9FSH
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9LAI
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6XN2
 | | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | | Deposit date: | 2020-07-02 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
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6QPC
 | | Cryo-EM structure of calcium-bound mTMEM16F lipid scramblase in nanodisc | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION | | Authors: | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-13 | | Release date: | 2019-03-06 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
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7QU2
 | | Junin virus GP1 glycoprotein in complex with Fab fragment of antibody JUN1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab JUN1 heavy chain, ... | | Authors: | Ng, W.M, Sahin, M, Krumm, S.A, Seow, J, Zeltina, A, Harlos, K, Paesen, G, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | | Deposit date: | 2022-01-17 | | Release date: | 2022-02-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Contrasting Modes of New World Arenavirus Neutralization by Immunization-Elicited Monoclonal Antibodies.
Mbio, 13, 2022
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8RNH
 | | Crystal structure of HLA B*18:01 in complex with EEIEITTHF, an 9-mer epitope from Influenza A | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Murdolo, L.D, Maddumaage, J, Gras, S. | | Deposit date: | 2024-01-10 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
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9GGW
 | | Human KRas4A (GDP) in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, 11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one, GTPase KRas, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2024-08-14 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Reversible Small Molecule Multivariant Ras Inhibitors Display Tunable Affinity for the Active and Inactive Forms of Ras.
J.Med.Chem., 68, 2025
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8RNG
 | | Crystal structure of HLA B*18:01 in complex with TEVETYVL, an 8-mer epitope from Influenza A | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGNESIUM ION, ... | | Authors: | Murdolo, L.D, Maddumage, J.C, Gras, S. | | Deposit date: | 2024-01-10 | | Release date: | 2024-05-08 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
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5NJF
 | | E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALA-ALA-ALA-ALA-ALA, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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4RIA
 | | FAN1 Nuclease bound to 5' phosphorylated nicked DNA | | Descriptor: | BARIUM ION, DNA (5'-D(*TP*TP*TP*TP*TP*TP*G*AP*GP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ... | | Authors: | Pavletich, N.P, Wang, R. | | Deposit date: | 2014-10-05 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
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7SX4
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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4R8W
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a neutralizing antibody CT149 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of neutralizing antibody CT149, Hemagglutinin, ... | | Authors: | Wu, Y, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2014-09-03 | | Release date: | 2015-08-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus
Nat Commun, 6, 2015
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8E8P
 | | GSTZ1A | | Descriptor: | Maleylacetoacetate isomerase | | Authors: | McKenna, R, Combs, J.E. | | Deposit date: | 2022-08-25 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Structure of human GSTZ1-1 and modifications by dichloroacetate
To Be Published
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8PJ7
 | | MLLT3 in complex with compound PFI-6 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-22 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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4RID
 | | Human FAN1 nuclease | | Descriptor: | Fanconi-associated nuclease 1 | | Authors: | Pavletich, N.P, Wang, R. | | Deposit date: | 2014-10-05 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
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7ZT8
 | | Structure of E8 TCR in complex in human MR1 bound to 3FBA | | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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6QZC
 | | HLA-DR1 with the QAR Peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | | Deposit date: | 2019-03-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
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8RE0
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | Deposit date: | 2023-12-09 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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6QTI
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