7MQ4
 
 | | Rules for designing protein fold switches and their implications for the folding code | | Descriptor: | Sb1 | | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | Deposit date: | 2021-05-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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6EG8
 | | Structure of the GDP-bound Gs heterotrimer | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Hilger, D, Liu, X, Aschauer, P, Kobilka, B.K. | | Deposit date: | 2018-08-19 | | Release date: | 2019-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
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7GQU
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQT
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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6QUJ
 | | GHK tagged GFP variant | | Descriptor: | COPPER (II) ION, GLYCEROL, Green fluorescent protein, ... | | Authors: | Huyton, T, Gorlich, D. | | Deposit date: | 2019-02-27 | | Release date: | 2020-05-27 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
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7S0M
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7S7U
 | | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | | Descriptor: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | Deposit date: | 2021-09-17 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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6AGK
 | | The structure of CH-II-77-tubulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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5ELI
 | | Triggering receptor expressed on myeloid cells 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Triggering receptor expressed on myeloid cells 2 | | Authors: | Brett, T.J, Kober, D.L. | | Deposit date: | 2015-11-04 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.0977 Å) | | Cite: | Neurodegenerative disease mutations in TREM2 reveal a functional surface and distinct loss-of-function mechanisms.
Elife, 5, 2016
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8T9N
 | | Bacillus subtilis RsgI GGG mutant | | Descriptor: | Anti-sigma-I factor RsgI | | Authors: | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | | Deposit date: | 2023-06-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5X9Q
 | | Crystal structure of HldC from Burkholderia pseudomallei | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative cytidylyltransferase | | Authors: | Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H. | | Deposit date: | 2017-03-08 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of D-glycero-Beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei.
Proteins, 86, 2018
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8BAI
 | | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | | Descriptor: | CYANOCOBALAMIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Whittaker, J, Martinez Felices, J.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.
To Be Published
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6E72
 | | Structure of Human Transthyretin Val30Met Mutant in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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8SSN
 | | Abl kinase in complex with SKI and asciminib | | Descriptor: | 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5LQ6
 | | Salmonella effector SpvD - R161 variant | | Descriptor: | SODIUM ION, Virulence protein vsdE | | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
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7SI9
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-10-12 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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6ECY
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8SZU
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5LDG
 | | Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP | | Descriptor: | (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2016-06-26 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
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3GTP
 | | Backtracked RNA polymerase II complex with 24mer RNA | | Descriptor: | DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
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8SSP
 | | AurA bound to danusertib and activating monobody Mb1 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5AQO
 | | 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, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | 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 (2.12 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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8JCD
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6R0M
 | | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | | Descriptor: | NF-YB2, NF-YC3 | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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