7ZKA
 
 | | ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | Authors: | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | | Deposit date: | 2022-04-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7VTA
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6EC0
 | | Crystal structure of the wild-type heterocomplex between coil 1B domains of human intermediate filament proteins keratin 1 (KRT1) and keratin 10 (KRT10) | | Descriptor: | CADMIUM ION, COBALT (II) ION, Keratin 1, ... | | Authors: | Eldirany, S.A, Lomakin, I.B, Bunick, C.G. | | Deposit date: | 2018-08-07 | | Release date: | 2019-05-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.983 Å) | | Cite: | Human keratin 1/10-1B tetramer structures reveal a knob-pocket mechanism in intermediate filament assembly.
Embo J., 38, 2019
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8BBI
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5AQP
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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8UD8
 | | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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5IUY
 | | Structural insights of the outer-membrane channel OprN | | Descriptor: | CHLORIDE ION, FORMIC ACID, Multidrug efflux outer membrane protein OprN, ... | | Authors: | Ntsogo, Y, Garnier, C, Phan, G, Monlezun, L, Benas, P, Broutin, I. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
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7VTB
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2RN9
 | | Solution structure of human apoCox17 | | Descriptor: | Cytochrome c oxidase copper chaperone | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Janicka, A, Martinelli, M, Kozlowski, H, Palumaa, P. | | Deposit date: | 2007-12-08 | | Release date: | 2007-12-18 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A structural-dynamical characterization of human cox17
J.Biol.Chem., 283, 2008
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8QQV
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191D
 | | CRYSTAL STRUCTURE OF INTERCALATED FOUR-STRANDED D(C3T) | | Descriptor: | DNA (5'-D(*CP*CP*CP*T)-3'), SODIUM ION | | Authors: | Kang, C, Berger, I, Lockshin, C, Ratliff, R, Moyzis, R, Rich, A. | | Deposit date: | 1994-09-29 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of intercalated four-stranded d(C3T) at 1.4 angstroms resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
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8QQT
 | | Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) ATP+ppGpp-bound form, compressed | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Bulvas, O, Kouba, T, Pichova, I. | | Deposit date: | 2023-10-06 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Deciphering the allosteric regulation of mycobacterial inosine-5'-monophosphate dehydrogenase.
Nat Commun, 15, 2024
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6FMH
 | | Crystal structure of the membrane attack complex assembly inhibitor BGA71 from Lyme disease agent Borreliella bavariensis (Native data) | | Descriptor: | membrane attack complex assembly inhibitor BGA71 | | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | Deposit date: | 2018-01-31 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis.
Sci Rep, 8, 2018
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3IFP
 | | X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex | | Descriptor: | 12B4 FAB antibody heavy chain, 12B4 FAB antibody light chain, Amyloid beta A4 protein | | Authors: | Weis, W.I, Feinberg, H, Basi, G.S, Schenk, D. | | Deposit date: | 2009-07-24 | | Release date: | 2009-11-17 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease.
J.Biol.Chem., 285, 2010
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1OCU
 | | Crystal structure of the yeast PX-domain protein Grd19p (sorting nexin 3) complexed to phosphatidylinosytol-3-phosphate. | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, SORTING NEXIN | | Authors: | Zhou, C.Z, Li de La Sierra-Gallay, I, Cheruel, S, Collinet, B, Minard, P, Blondeau, K, Henkes, G, Aufrere, R, Leulliot, N, Graille, M, Sorel, I, Savarin, P, de la Torre, F, Poupon, A, Janin, J, van Tilbeurgh, H. | | Deposit date: | 2003-02-10 | | Release date: | 2003-12-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the yeast Phox homology (PX) domain protein Grd19p complexed to phosphatidylinositol-3-phosphate.
J. Biol. Chem., 278, 2003
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6FZE
 | | BBE31 from Lyme disease agent Borrelia (Borreliella) burgdorferi playing a vital role in successful colonization of the mammalian host (native data) | | Descriptor: | GLUTATHIONE, Putative surface protein, SULFATE ION | | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | Deposit date: | 2018-03-14 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Biochim Biophys Acta Gen Subj, 1864, 2019
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6S06
 | | Crystal structure of haloalkane dehalogenase LinB D147C+L177C mutant (LinB73) from Sphingobium japonicum UT26 | | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | | Authors: | Iermak, I, Mesters, J.R, Degtjarik, O, Chaloupkova, R, Kuta Smatanova, I. | | Deposit date: | 2019-06-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum
Catalysts, 2021
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6F0D
 | | Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions | | Descriptor: | CADMIUM ION, VHH antibody BCD090-M2 | | Authors: | Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B. | | Deposit date: | 2017-11-19 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.90000749 Å) | | Cite: | Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
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3IQ2
 | | Human sorting nexin 7, phox homology (PX) domain | | Descriptor: | GLYCEROL, SULFATE ION, Sorting nexin-7 | | Authors: | Karlberg, T, Wisniewska, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-19 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Human Sorting Nexin 7, Phox Homology (Px) Domain
To be Published
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5V8K
 | | Homodimeric reaction center of H. modesticaldum | | Descriptor: | 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ... | | Authors: | Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a symmetric photosynthetic reaction center-photosystem.
Science, 357, 2017
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8B31
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5DN2
 | | Human NRP2 b1 domain in complex with the peptide corresponding to the C-terminus of VEGF-A | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Neuropilin-2, ... | | Authors: | Tsai, Y.C.I, Frankel, P, Fotinou, C, Rana, R, Zachary, I, Djordjevic, S. | | Deposit date: | 2015-09-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of neuropilin-2 reveal a zinc ion binding site remote from the vascular endothelial growth factor binding pocket.
Febs J., 283, 2016
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8B68
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8BR5
 | | Discovery of IRAK4 Inhibitor 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8B6D
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