4MSU
 
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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4BUM
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3KPO
 | | Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope | | Descriptor: | Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ... | | Authors: | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | | Deposit date: | 2009-11-16 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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4MSR
 | | RNA 10mer duplex with six 2'-5'-linkages | | Descriptor: | RNA 10mer duplex with six 2'-5'-linkages, STRONTIUM ION | | Authors: | Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W. | | Deposit date: | 2013-09-18 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural insights into the effects of 2'-5' linkages on the RNA duplex.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6C6A
 | | Structure of glycolipid aGSA[16,6P] in complex with mouse CD1d | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M, Wang, J. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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4CBT
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | Descriptor: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | Deposit date: | 2013-10-16 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
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5FJJ
 | | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | | Deposit date: | 2015-10-09 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
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2V07
 | | Structure of the Arabidopsis thaliana cytochrome c6A V52Q variant | | Descriptor: | CYTOCHROME C6, HEME C | | Authors: | Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J. | | Deposit date: | 2007-05-09 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
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5HC5
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6SHX
 | | DNA mismatch repair proteins MLH1 and MLH3 | | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2019-08-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6SNS
 | | DNA mismatch repair proteins MLH1 and MLH3 | | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2019-08-27 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6SNV
 | | DNA mismatch repair proteins MLH1 and MLH3 | | Descriptor: | DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION | | Authors: | Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2019-08-27 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6T2E
 | | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm | | 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 (2.4 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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6T2F
 | | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | | Descriptor: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am | | 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 (2.09 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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4WST
 | | The crystal structure of hemagglutinin from A/Taiwan/1/2013 influenza virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain | | Authors: | Yang, H, Carney, P.J, Chang, J, Villanueva, J.M, Stevens, J. | | Deposit date: | 2014-10-28 | | Release date: | 2015-02-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
J.Virol., 89, 2015
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6T7I
 | | Structure of yeast 80S ribosome stalled on the CGA-CGA inhibitory codon combination. | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. | | Deposit date: | 2019-10-22 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts.
Embo J., 39, 2020
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7KNB
 | | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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6T9A
 | | Crystal structrue of RSL W31FW76F lectin mutant in complex with L-fucose | | Descriptor: | 1,2-ETHANEDIOL, Fucose-binding lectin protein, alpha-L-fucopyranose, ... | | Authors: | Houser, J, Kozmon, S, Wimmerova, M. | | Deposit date: | 2019-10-26 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
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6TBC
 | | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | | Descriptor: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Fage, C.D, Masschelein, J. | | Deposit date: | 2019-11-01 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6TGX
 | | Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue | | Descriptor: | Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA | | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | | Deposit date: | 2019-11-18 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
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7KMB
 | | ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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7KNH
 | | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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6T6X
 | | Structure of the Bottromycin epimerase BotH in complex with substrate | | Descriptor: | (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2019-10-20 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
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4C05
 | | Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH | | Descriptor: | PROTEIN ARGININE N-METHYLTRANSFERASE 6, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
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4X1U
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