5FVM
| Cryo electron microscopy of a complex of Tor and Lst8 | Descriptor: | SERINE/THREONINE-PROTEIN KINASE TOR2, TARGET OF RAPAMYCIN COMPLEX SUBUNIT LST8 | Authors: | Baretic, D, Berndt, A, Ohashi, Y, Johnson, C.M, Williams, R.L. | Deposit date: | 2016-02-09 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Tor Forms a Dimer Through an N-Terminal Helical Solenoid with a Complex Topology Nat.Commun., 7, 2016
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6FHN
| Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative) | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | Deposit date: | 2018-01-15 | Release date: | 2018-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase Acs Catalysis, 2018
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6T1Z
| LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... | Authors: | Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. | Deposit date: | 2019-10-07 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity. Nat.Struct.Mol.Biol., 27, 2020
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6FI2
| VexL: A periplasmic depolymerase provides new insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid-(1-4)-3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid, MALONATE ION, VexL | Authors: | Naismith, J.H, McMahon, S.A, Le Bas, A, Liston, S.D, Whitfield, C. | Deposit date: | 2018-01-16 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Periplasmic depolymerase provides insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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6FAA
| CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ETHANOL, GLYCEROL, ... | Authors: | Schmitt, A, Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2017-12-15 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of the spliceosomal DEAH-box ATPase Prp2. Acta Crystallogr D Struct Biol, 74, 2018
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5FUD
| Oceanobacillus iheyensis macrodomain with MES bound | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, O-ACETYL-ADP-RIBOSE DEACETYLASE, ... | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | Deposit date: | 2016-01-25 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis ofOceanobacillus iheyensismacrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol, 7, 2017
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6FIV
| STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | Descriptor: | RETROPEPSIN, SULFATE ION, 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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6T2R
| Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | Beta-glycosidase, SULFATE ION | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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4RT5
| The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase protein from planctomyces limnophilus dsm 3776 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Wu, R, Bearden, J, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-13 | Release date: | 2014-12-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase protein from Planctomyces limnophilus dsm 3776 TO BE PUBLISHED
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8SJJ
| X-ray structure of the metastable SEPT14-SEPT7 heterodimeric coiled coil | Descriptor: | DI(HYDROXYETHYL)ETHER, SODIUM ION, Septin 7, ... | Authors: | Cavini, I.A, Pereira, H.M, Garratt, R.C. | Deposit date: | 2023-04-18 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | X-ray structure of the metastable SEPT14-SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization. Acta Crystallogr D Struct Biol, 79, 2023
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1BMD
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6FBD
| KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the second primer nucleotide. | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*AP*(OH3)P*C)-3'), DNA (5'-D(P*AP*AP*AP*CP*GP*GP*TP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5KJK
| SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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6MSU
| Integrin alphaVBeta3 in complex with EETI-II 2.5F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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6FKU
| Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, in complex with NADP) | Descriptor: | Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-24 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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7QO9
| SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529, ... | Authors: | Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D. | Deposit date: | 2021-12-23 | Release date: | 2022-01-26 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion Biorxiv, 2021
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5N81
| Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | Authors: | Niquille, D.L, Hansen, D.A, Mori, T, Fercher, D, Kries, H, Hilvert, D. | Deposit date: | 2017-02-22 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nonribosomal biosynthesis of backbone-modified peptides. Nat Chem, 10, 2018
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6CCV
| Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Rifampicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2018-02-07 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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6T2D
| Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | Descriptor: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | Deposit date: | 2019-10-08 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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8OPR
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4YO5
| EAEC T6SS TssA-Cterminus | Descriptor: | TssA | Authors: | Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E. | Deposit date: | 2015-03-11 | Release date: | 2016-02-17 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Priming and polymerization of a bacterial contractile tail structure. Nature, 531, 2016
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3MHJ
| Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one | Descriptor: | 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
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5FMM
| crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT | Authors: | Thierry, E, Pflug, A, Hart, D, Cusack, S. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains. Mol.Cell, 61, 2016
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6FE3
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439 | Descriptor: | 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-28 | Release date: | 2019-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-1439 To be published
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