5FZN
| Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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8DIZ
| Crystal structure of NavAb I119T as a basis for the human Nav1.7 Inherited Erythromelalgia I234T mutation | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein | Authors: | Wisedchaisri, G, Gamal El-Din, T.M, Zheng, N, Catterall, W.A. | Deposit date: | 2022-06-29 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for severe pain caused by mutations in the S4-S5 linkers of voltage-gated sodium channel Na V 1.7. Proc.Natl.Acad.Sci.USA, 120, 2023
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6UCJ
| proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Open Conformer | Descriptor: | Islet amyloid polypeptide | Authors: | DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L. | Deposit date: | 2019-09-16 | Release date: | 2020-02-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment. Febs J., 287, 2020
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1A5Y
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7VMF
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8D2M
| Covalent Schiff base complex of YedK C2A and abasic DNA | Descriptor: | Abasic site processing protein YedK, DNA (5'-D(*GP*TP*CP*(PED)P*GP*GP*A)-3') | Authors: | Eichman, B.F, Paulin, K.A. | Deposit date: | 2022-05-30 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | The SOS response-associated peptidase (SRAP) domain of YedK catalyzes ring opening of abasic sites and reversal of its DNA-protein cross-link. J.Biol.Chem., 298, 2022
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5V37
| Crystal structure of SMYD3 with SAM and EPZ028862 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-06 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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5AP0
| Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, DIMETHYL SULFOXIDE, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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4ZM2
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6SSZ
| Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | Deposit date: | 2019-09-09 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site. Malar.J., 18, 2019
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8RYI
| Metformin hydrolase from Aminobacter niigataensis MD1 with urea in the active site | Descriptor: | Agmatinase family protein, Arginase family protein, CALCIUM ION, ... | Authors: | Fleming, J.R, Lutz, H, Bachmann, A, Mayans, O. | Deposit date: | 2024-02-08 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Metformin hydrolase is a recently evolved, nickel-dependent, heteromeric ureohydrolase To Be Published
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4ZNK
| Thermus Phage P74-26 Large Terminase ATPase domain from (P 32 2 1 space group) | Descriptor: | Phage terminase large subunit, SULFATE ION | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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6GK3
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8P6G
| Crystal structure of the improved version of the Genetically Encoded Green Calcium Indicator YTnC2-5 | Descriptor: | DI(HYDROXYETHYL)ETHER, Genetically Encoded Green Calcium Indicator YTnC2-5 based on Troponin C from toadfish | Authors: | Boyko, K.M, Nikolaeva, A.Y, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Popov, V.O, Subach, F.V. | Deposit date: | 2023-05-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | YTnC2, an improved genetically encoded green calcium indicator based on toadfish troponin C. Febs Open Bio, 13, 2023
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7QIK
| SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | Authors: | Sluchanko, N.N, Tugaeva, K.V, Smith, J.L.R, Antson, A.A. | Deposit date: | 2021-12-15 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma To Be Published
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7QIP
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5JOQ
| Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e | Descriptor: | CHLORIDE ION, CITRIC ACID, Lmo2184 protein | Authors: | Brunzelle, J.S, Wawrzak, Z, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-02 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e To Be Published
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5FY0
| Crystal structure of JmjC domain of human histone demethylase UTY in complex with L-malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2016-03-03 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with L-Malate To be Published
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5K9R
| PDE10a with imidazopyrazine inhibitor | Descriptor: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine, MAGNESIUM ION, ZINC ION, ... | Authors: | Gibbs, A.G, Schubert, C. | Deposit date: | 2016-06-01 | Release date: | 2016-08-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6GHF
| Crystal structure of a GST variant | Descriptor: | PvGmGSTUG | Authors: | Papageorgiou, A.C, Chronopoulou, E.G, Labrou, N.E. | Deposit date: | 2018-05-07 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Expanding the Plant GSTome Through Directed Evolution: DNA Shuffling for the Generation of New Synthetic Enzymes With Engineered Catalytic and Binding Properties. Front Plant Sci, 9, 2018
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5FW5
| Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives | Descriptor: | ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ... | Authors: | Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M. | Deposit date: | 2016-02-12 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication. Open Biol, 6, 2016
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8RK0
| HCV E1/E2 homodimer complex, ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HCV E1, ... | Authors: | Augestad, E.H, Olesen, C.H, Groenberg, C, Soerensen, A, Velazquez-Moctezuma, R, Fanalista, M, Bukh, J, Wang, K, Gourdon, P, Prentoe, J. | Deposit date: | 2023-12-22 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | The hepatitis C virus envelope protein complex is a dimer of heterodimers Nature, 2024
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5JQC
| Crystal structure putative autolysin from Listeria monocytogenes | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Lmo1076 protein, ... | Authors: | Chang, C, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-04 | Release date: | 2016-05-18 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Crystal structure putative autolysin from Listeria monocytogenes To Be Published
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4ZNM
| Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form) | Descriptor: | C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-05-04 | Release date: | 2015-05-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form) To Be Published
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8RJJ
| HCV E1/E2 homodimer complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, ... | Authors: | Augestad, E.H, Olesen, C.H, Groenberg, C, Soerensen, A, Velazquez-Moctezuma, R, Fanalista, M, Bukh, J, Wang, K, Gourdon, P, Prentoe, J. | Deposit date: | 2023-12-21 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | The hepatitis C virus envelope protein complex is a dimer of heterodimers Nature, 2024
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