1K23
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![BU of 1k23 by Molmil](/molmil-images/mine/1k23) | Inorganic Pyrophosphatase (Family II) from Bacillus subtilis | Descriptor: | MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase | Authors: | Ahn, S, Milner, A.J, Futterer, K, Konopka, M, Ilias, M, Young, T.W, White, S.A. | Deposit date: | 2001-09-26 | Release date: | 2001-10-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The "open" and "closed" structures of the type-C inorganic pyrophosphatases from Bacillus subtilis and Streptococcus gordonii. J.Mol.Biol., 313, 2001
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3N7Q
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![BU of 3n7q by Molmil](/molmil-images/mine/3n7q) | Crystal structure of human mitochondrial mTERF fragment (aa 99-399) in complex with a 12-mer DNA encompassing the tRNALeu(UUR) binding sequence | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*G)-3'), ... | Authors: | Jimenez-Menendez, N, Fernandez-Millan, P, Rubio-Cosials, A, Arnan, C, Montoya, J, Jacobs, H.T, Bernado, P, Coll, M, Uson, I, Sola, M. | Deposit date: | 2010-05-27 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human mitochondrial mTERF wraps around DNA through a left-handed superhelical tandem repeat. Nat.Struct.Mol.Biol., 17, 2010
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6KG2
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![BU of 6kg2 by Molmil](/molmil-images/mine/6kg2) | Human MTHFD2 in complex with Compound 18 | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | Deposit date: | 2019-07-10 | Release date: | 2019-11-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J.Med.Chem., 62, 2019
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1JWG
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![BU of 1jwg by Molmil](/molmil-images/mine/1jwg) | VHS Domain of human GGA1 complexed with cation-independent M6PR C-terminal Peptide | Descriptor: | ADP-ribosylation factor binding protein GGA1, Cation-independent mannose-6-phosphate receptor, IODIDE ION | Authors: | Shiba, T, Takatsu, H, Nogi, T, Matsugaki, N, Kawasaki, M, Igarashi, N, Suzuki, M, Kato, R, Earnest, T, Nakayama, K, Wakatsuki, S. | Deposit date: | 2001-09-04 | Release date: | 2002-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for recognition of acidic-cluster dileucine sequence by GGA1. Nature, 415, 2002
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6GVG
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![BU of 6gvg by Molmil](/molmil-images/mine/6gvg) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | Descriptor: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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2PSO
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![BU of 2pso by Molmil](/molmil-images/mine/2pso) | Human StarD13 (DLC2) lipid transfer and protein localization domain | Descriptor: | StAR-related lipid transfer protein 13 | Authors: | Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-07 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparative structural analysis of lipid binding START domains. Plos One, 6, 2011
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5D45
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![BU of 5d45 by Molmil](/molmil-images/mine/5d45) | Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid | Descriptor: | 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | Deposit date: | 2015-08-07 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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7KHP
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![BU of 7khp by Molmil](/molmil-images/mine/7khp) | Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2020-10-21 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site. Nat Commun, 11, 2020
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6GZ4
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![BU of 6gz4 by Molmil](/molmil-images/mine/6gz4) | tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-2 (TI-POST-2) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | Authors: | Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V. | Deposit date: | 2018-07-03 | Release date: | 2018-12-05 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis. Cell Rep, 25, 2018
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6H5G
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![BU of 6h5g by Molmil](/molmil-images/mine/6h5g) | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | Descriptor: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 6, 2019
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3NGN
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![BU of 3ngn by Molmil](/molmil-images/mine/3ngn) | Crystal structure of the human CNOT6L nuclease domain in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-12 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
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6H1P
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![BU of 6h1p by Molmil](/molmil-images/mine/6h1p) | |
2PIZ
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![BU of 2piz by Molmil](/molmil-images/mine/2piz) | |
6H6U
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7KEP
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![BU of 7kep by Molmil](/molmil-images/mine/7kep) | avibactam-CDD-1 2 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-11 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
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6IMW
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![BU of 6imw by Molmil](/molmil-images/mine/6imw) | The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces funiculosus with beta-1,2-glucan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endo-beta-1,2-glucanase, ... | Authors: | Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. | Deposit date: | 2018-10-23 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family. J.Biol.Chem., 294, 2019
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5FIV
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![BU of 5fiv by Molmil](/molmil-images/mine/5fiv) | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | Descriptor: | RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | Deposit date: | 1998-12-02 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
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5D5F
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![BU of 5d5f by Molmil](/molmil-images/mine/5d5f) | In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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4K7Z
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![BU of 4k7z by Molmil](/molmil-images/mine/4k7z) | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MERCURY (II) ION, ... | Authors: | Dong, A, Falkowaski, M, Malone, M, Miller, S.M, Pai, E.F. | Deposit date: | 2013-04-17 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+ To be Published
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4K8A
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![BU of 4k8a by Molmil](/molmil-images/mine/4k8a) | Fragment-based discovery of Focal Adhesion Kinase Inhibitors | Descriptor: | 3-bromo-5-(2H-tetrazol-5-yl)pyridine, Focal adhesion kinase 1 | Authors: | Graedler, U, Bomke, J, Musil, D, Dresing, V, Lehmann, M, Hoelzemann, G, Esdar, C, Krier, M, Heinrich, T. | Deposit date: | 2013-04-18 | Release date: | 2013-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6GT3
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![BU of 6gt3 by Molmil](/molmil-images/mine/6gt3) | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | Deposit date: | 2018-06-15 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity J Immunother Cancer, 2020
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1ZDX
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![BU of 1zdx by Molmil](/molmil-images/mine/1zdx) | Solution Structure of the type 1 pilus assembly platform FimD(25-125) | Descriptor: | Outer membrane usher protein fimD | Authors: | Nishiyama, M, Horst, R, Herrmann, T, Vetsch, M, Bettendorff, P, Ignatov, O, Grutter, M, Wuthrich, K, Glockshuber, R, Capitani, G. | Deposit date: | 2005-04-15 | Release date: | 2005-06-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis of chaperone-subunit complex recognition by the type 1 pilus assembly platform FimD. Embo J., 24, 2005
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6I5W
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![BU of 6i5w by Molmil](/molmil-images/mine/6i5w) | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | Descriptor: | ACETATE ION, Solute Binding Protein BlMnBP1, Blac_00780 in complex with mannopentaose, ... | Authors: | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-11-14 | Release date: | 2019-04-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
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1MKU
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5G2W
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![BU of 5g2w by Molmil](/molmil-images/mine/5g2w) | S. enterica HisA mutant D10G, G102A | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-04-14 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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