3P1H
 
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, thermonuclease | | Authors: | Clark, I.A, Caro, J.A, Sue, G, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Pressure unfolding effects of artificial cavities in proteins.
To be Published
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6FU4
 | | Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ | | Descriptor: | ACETATE ION, GLYCEROL, HISTAMINE, ... | | Authors: | Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-16 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa.
MBio, 9, 2018
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6BQ1
 | | Human PI4KIIIa lipid kinase complex | | Descriptor: | 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ... | | Authors: | Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M. | | Deposit date: | 2017-11-27 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6G96
 | | Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | | Authors: | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | | Deposit date: | 2018-04-10 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4766078 Å) | | Cite: | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection.
Nat Commun, 9, 2018
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6BYS
 | | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha | | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | | Deposit date: | 2017-12-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.75 Å) | | Cite: | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
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3ORX
 | | PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | | Descriptor: | 2-methyl-N-(2-sulfanylethyl)-1-benzofuran-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, CHLORIDE ION | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-08 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2044 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3OX3
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2010-09-21 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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6BZP
 | | STGGYG from low-complexity domain of FUS, residues 77-82 | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, RNA-binding protein FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-25 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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3P22
 | | Crystal structure of the ENE, a viral RNA stability element, in complex with A9 RNA | | Descriptor: | Core ENE hairpin from KSHV PAN RNA, oligo(A)9 RNA | | Authors: | Mitton-Fry, R.M, DeGregorio, S.J, Wang, J, Steitz, T.A, Steitz, J.A. | | Deposit date: | 2010-10-01 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Poly(A) tail recognition by a viral RNA element through assembly of a triple helix.
Science, 330, 2010
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3P3B
 | | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE | | Descriptor: | D(-)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-10-04 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE.
To be Published
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3P61
 | | Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-11 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.396 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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6FTD
 | | Deinococcus radiodurans BphP PAS-GAF H290T mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | | Deposit date: | 2018-02-21 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Coordination of the biliverdin D-ring in bacteriophytochromes.
Phys Chem Chem Phys, 20, 2018
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3OS8
 | | Estrogen Receptor | | Descriptor: | 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-10 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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3OVM
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A. | | Deposit date: | 2010-09-16 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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6B91
 | | Crystal structure of the N-terminal domain of human METTL16 | | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | Authors: | Ruszkowska, A, Ruszkowski, M, Dauter, Z, Brown, J.A. | | Deposit date: | 2017-10-09 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural insights into the RNA methyltransferase domain of METTL16.
Sci Rep, 8, 2018
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3P5Z
 | | Crystal structure of the mutant T159S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, N-PROPANOL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-11 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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1YHG
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6CLF
 | | 1.15 A MicroED structure of GSNQNNF at 1.9 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLO
 | | 1.15 A MicroED structure of GSNQNNF at 2.1 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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3OTU
 | | PDK1 mutant bound to allosteric disulfide fragment activator JS30 | | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ... | | Authors: | Sadowsky, J.D, Wells, J.A. | | Deposit date: | 2010-09-13 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1013 Å) | | Cite: | Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3OW1
 | | Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens complexed with MG | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-09-17 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG
To be Published
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6DZW
 | | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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3P60
 | | Crystal structure of the mutant T159V of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-10-11 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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3P0W
 | | Crystal structure of D-Glucarate dehydratase from Ralstonia solanacearum complexed with Mg and D-glucarate | | Descriptor: | D-GLUCARATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | | Authors: | Fedorov, A.A, Fedorov, E.V, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal structure of D-Glucarate dehydratase from Ralstonia solanacearum complexed with Mg and D-glucarate
To be Published
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6BYM
 | | Crystal structure of the sterol-bound second StART domain of yeast Lam4 | | Descriptor: | 25-HYDROXYCHOLESTEROL, Sterol-binding protein | | Authors: | Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of sterol binding and transport by a yeast StARkin domain.
J. Biol. Chem., 293, 2018
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