4XD4
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![BU of 4xd4 by Molmil](/molmil-images/mine/4xd4) | Phosphotriesterase variant E2b | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-19 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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4XF5
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![BU of 4xf5 by Molmil](/molmil-images/mine/4xf5) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. | Descriptor: | (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. To be published
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4XFZ
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![BU of 4xfz by Molmil](/molmil-images/mine/4xfz) | Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74) | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2014-12-29 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability. Science, 349, 2015
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5ZYL
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![BU of 5zyl by Molmil](/molmil-images/mine/5zyl) | Crystal structure of CERT START domain in complex with compound E25A | Descriptor: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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4XOP
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![BU of 4xop by Molmil](/molmil-images/mine/4xop) | Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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6A4R
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![BU of 6a4r by Molmil](/molmil-images/mine/6a4r) | Crystal structure of aspartate bound peptidase E from Salmonella enterica | Descriptor: | ASPARTIC ACID, Peptidase E | Authors: | Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D. | Deposit date: | 2018-06-20 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett., 592, 2018
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6A52
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![BU of 6a52 by Molmil](/molmil-images/mine/6a52) | Oxidase ChaP-H1 | Descriptor: | FE (II) ION, dioxidase ChaP-H1 | Authors: | Zhang, B, Ge, H.M. | Deposit date: | 2018-06-21 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis. J. Am. Chem. Soc., 140, 2018
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6A5W
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![BU of 6a5w by Molmil](/molmil-images/mine/6a5w) | FXR-LBD with HNC143 and SRC1 | Descriptor: | 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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6A8M
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![BU of 6a8m by Molmil](/molmil-images/mine/6a8m) | N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii) | Descriptor: | FACT complex subunit SPT16 | Authors: | Gaur, N.K, Are, V.N, Durani, V, Ghosh, B, Kumar, A, Kulkarni, K, Makde, R.D. | Deposit date: | 2018-07-09 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16. J.Biomol.Struct.Dyn., 2021
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6A17
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![BU of 6a17 by Molmil](/molmil-images/mine/6a17) | Crystal structure of CYP90B1 in complex with brassinazole | Descriptor: | (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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4ZQA
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4ZQK
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![BU of 4zqk by Molmil](/molmil-images/mine/4zqk) | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | Deposit date: | 2015-05-10 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. Structure, 23, 2015
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5ZQQ
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![BU of 5zqq by Molmil](/molmil-images/mine/5zqq) | Tankyrase-2 in complex with compound 52 | Descriptor: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | Deposit date: | 2018-04-19 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors. J. Med. Chem., 62, 2019
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5ZS3
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![BU of 5zs3 by Molmil](/molmil-images/mine/5zs3) | Small heat shock protein from M. marinum:Form-1 | Descriptor: | CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ... | Authors: | Bhandari, S, Suguna, K. | Deposit date: | 2018-04-27 | Release date: | 2019-01-30 | Last modified: | 2019-04-17 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Dodecameric structure of a small heat shock protein from Mycobacterium marinum M. Proteins, 87, 2019
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4ZD3
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![BU of 4zd3 by Molmil](/molmil-images/mine/4zd3) | Structure of a transglutaminase 2-specific autoantibody Fab fragment | Descriptor: | 679-14-14E06 Fab fragment heavy chain, 679-14-14E06 Fab fragment light chain | Authors: | Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M. | Deposit date: | 2015-04-16 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease. J.Biol.Chem., 290, 2015
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6A5F
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![BU of 6a5f by Molmil](/molmil-images/mine/6a5f) | |
4YXB
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![BU of 4yxb by Molmil](/molmil-images/mine/4yxb) | FliM(SPOA)::FliN fusion protein | Descriptor: | Ambiguous peptide density, Flagellar motor switch protein FliM,Flagellar motor switch protein FliN, FliM::FliN fragment, ... | Authors: | Notti, R.Q, Stebbins, C.E. | Deposit date: | 2015-03-22 | Release date: | 2015-06-03 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A common assembly module in injectisome and flagellar type III secretion sorting platforms. Nat Commun, 6, 2015
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4ZE1
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![BU of 4ze1 by Molmil](/molmil-images/mine/4ze1) | Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site | Descriptor: | Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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5ZS6
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![BU of 5zs6 by Molmil](/molmil-images/mine/5zs6) | |
4YXV
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![BU of 4yxv by Molmil](/molmil-images/mine/4yxv) | |
4YZB
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![BU of 4yzb by Molmil](/molmil-images/mine/4yzb) | CDPK1 from Eimeria tenella in complex with inhibitor UW1521 | Descriptor: | 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase | Authors: | Merritt, E.A. | Deposit date: | 2015-03-24 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | CDPK is a druggable target in the apicomplexan parasite Eimeria to be published
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4YZP
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5ZSM
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![BU of 5zsm by Molmil](/molmil-images/mine/5zsm) | Crystal structure of monkey TLR7 in complex with GGUCCC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2018-04-28 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
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4Z26
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![BU of 4z26 by Molmil](/molmil-images/mine/4z26) | Mimivirus R135 (residues 51-702) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase R135 | Authors: | Klose, T, Rossmann, M.G. | Deposit date: | 2015-03-28 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.915 Å) | Cite: | A Mimivirus Enzyme that Participates in Viral Entry. Structure, 23, 2015
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5ZVP
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![BU of 5zvp by Molmil](/molmil-images/mine/5zvp) | Aspergillus fumigatus Rho1 F25N | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | Authors: | Wei, W.F, Van Aalten, D.M.F. | Deposit date: | 2018-05-12 | Release date: | 2019-05-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Aspergillus fumigateurs Rho1 F25N To Be Published
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