1SME
 
 | | PLASMEPSIN II, A HEMOGLOBIN-DEGRADING ENZYME FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH PEPSTATIN A | | Descriptor: | PLASMEPSIN II, Pepstatin | | Authors: | Silva, A.M, Lee, A.Y, Gulnik, S.V, Goldberg, D.E, Erickson, J.W. | | Deposit date: | 1996-06-11 | | Release date: | 1997-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum.
Proc.Natl.Acad.Sci.USA, 93, 1996
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5ZFB
 | | Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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4KPR
 | | Tetrameric form of rat selenoprotein thioredoxin reductase 1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, SULFITE ION, ... | | Authors: | Lindqvist, Y, Sandalova, T, Xu, J, Arner, E. | | Deposit date: | 2013-05-14 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Trp114 residue of thioredoxin reductase 1 is an electron relay sensor for oxidative stress
To be Published, 2013
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6YBC
 | | RNASE 3/1 version2 phosphate complex | | Descriptor: | GLYCEROL, PHOSPHATE ION, RNASE 3/1 version2 | | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | Deposit date: | 2020-03-16 | | Release date: | 2021-10-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras.
Front Mol Biosci, 9, 2022
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2KNX
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7SJO
 | | HtrA1S328A:Fab15H6.v4 complex | | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | | Deposit date: | 2021-10-18 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
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7K54
 | | Mid-translocated +1-frameshifting(CCC-A) complex with EF-G and GDPCP (Structure II-FS) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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7K52
 | | Near post-translocated non-frameshifting(CCA-A) complex with EF-G and GDPCP (Structure III) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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7K53
 | | Pre-translocation +1-frameshifting(CCC-A) complex (Structure I-FS) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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7K55
 | | Near post-translocated +1-frameshifting(CCC-A) complex with EF-G and GDPCP (Structure III-FS) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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7K51
 | | Mid-translocated non-frameshifting(CCA-A) complex with EF-G and GDPCP (Structure II) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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6HUK
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-08 | | Release date: | 2019-01-02 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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3QIU
 | | Crystal structure of the 226 TCR in complex with MCC/I-Ek | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | | Deposit date: | 2011-01-27 | | Release date: | 2011-04-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
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7K50
 | | Pre-translocation non-frameshifting(CCA-A) complex (Structure I) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Demo, G, Loveland, A.B, Svidritskiy, E, Gamper, H.B, Hou, Y.M, Korostelev, A.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for +1 ribosomal frameshifting during EF-G-catalyzed translocation.
Nat Commun, 12, 2021
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3G2I
 | | Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole | | Descriptor: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form | | Authors: | Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2009-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
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4ZFA
 | | Cytochrome P450 wild type from BM3 with bound PEG | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | | Deposit date: | 2015-04-21 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.765 Å) | | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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6VMG
 | | Chloroplast ATP synthase (O3, CF1FO) | | Descriptor: | ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ... | | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | | Deposit date: | 2020-01-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.46 Å) | | Cite: | Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
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7SA6
 | | fHbp mutant 2416 bound to Fab JAR5 | | Descriptor: | Factor H-binding protein 2416, JAR5 Heavy Chain, JAR5 Light Chain | | Authors: | Chesterman, C, Malito, E, Bottomley, M.J. | | Deposit date: | 2021-09-22 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active Learning for Rapid Design: An iterative AI approach for accelerated vaccine design that combines active machine learning and high-throughput experimental evaluation
To Be Published
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2BSM
 | | Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | | Deposit date: | 2005-05-23 | | Release date: | 2005-06-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.
J. Med. Chem., 48, 2005
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1AGB
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION) | | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION) | | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1997-03-24 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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2KEI
 | | Refined Solution Structure of a Dimer of LAC repressor DNA-Binding domain complexed to its natural operator O1 | | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*TP*GP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), Lactose operon repressor | | Authors: | Romanuka, J, Folkers, G, Biris, N, Tishchenko, E, Wienk, H, Kaptein, R, Boelens, R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-05-19 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Specificity and affinity of Lac repressor for the auxiliary operators O2 and O3 are explained by the structures of their protein-DNA complexes.
J.Mol.Biol., 390, 2009
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1IEM
 | | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4) | | Descriptor: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase | | Authors: | Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
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4ZQC
 | | Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-05-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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2KEK
 | | Solution structure of a dimer of LAC repressor DNA-binding domain complexed to its natural operator O3 | | Descriptor: | DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*GP*AP*GP*CP*GP*CP*AP*AP*CP*GP*CP*AP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*TP*GP*CP*GP*TP*TP*GP*CP*GP*CP*TP*CP*AP*CP*TP*GP*CP*CP*G)-3'), Lactose operon repressor | | Authors: | Romanuka, J, Folkers, G, Biris, N, Tishchenko, E, Wienk, H, Kaptein, R, Boelens, R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-05-19 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Specificity and affinity of Lac repressor for the auxiliary operators O2 and O3 are explained by the structures of their protein-DNA complexes.
J.Mol.Biol., 390, 2009
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6Z05
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