7OV2
 
 | | Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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6Z5X
 | | The RSL - sulfonato-calix[8]arene complex, P213 form, acetate pH 4.8 | | Descriptor: | Fucose-binding lectin protein, SODIUM ION, SULFATE ION, ... | | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | | Deposit date: | 2020-05-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
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6Z6C
 | | Crystal structurel of FleA lectin in complex with a monovalent inhibitor | | Descriptor: | 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside, Fucose-specific lectin, GLYCEROL, ... | | Authors: | Varrot, A. | | Deposit date: | 2020-05-28 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Hexavalent thiofucosides to probe the role of the Aspergillus fumigatus lectin FleA in fungal pathogenicity.
Org.Biomol.Chem., 19, 2021
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4KYV
 | | Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150 | | Descriptor: | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2 | | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR150
To be Published
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6IVO
 | | Crystal structure of a membrane protein P208A | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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5L3G
 | | LSD1-CoREST1 in complex with polymyxin E (colistin) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | Deposit date: | 2016-04-10 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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7OP6
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2021-05-29 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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5L26
 | | Structure of CNTnw in an inward-facing substrate-bound state | | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease, SODIUM ION, ... | | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2016-07-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter.
Nature, 545, 2017
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4LRT
 | | Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site | | Descriptor: | 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, COENZYME A, ... | | Authors: | Fischer, B, Branlant, G, Talfournier, F, Gruez, A. | | Deposit date: | 2013-07-20 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site
To be Published
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6IVQ
 | | Crystal structure of a membrane protein S19A | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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5L6Q
 | | Refolded AL protein from cardiac amyloidosis | | Descriptor: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | | Deposit date: | 2016-05-31 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4M4S
 | | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDP and formate ion mimic aIF2gamma*GDP*Pi complex (a formate ion substitutes for Pi) | | Descriptor: | FORMIC ACID, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2013-08-07 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
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7OW7
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3QW8
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3PIP
 | | Crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit | | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Belousoff, M.J, Shapira, T, Bashan, A, Zimmerman, E, Kinashi, H, Rozenberg, H, Yonath, A. | | Deposit date: | 2010-11-07 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal structure of the synergistic antibiotic pair, lankamycin and lankacidin, in complex with the large ribosomal subunit.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7P4J
 | | Crystal structure of Autotaxin and tetrahydrocannabinol | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
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6IX8
 | | The structure of LepI C52A in complex with SAM and its substrate analogue | | Descriptor: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | | Deposit date: | 2018-12-09 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.659 Å) | | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
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3QW7
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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6J05
 | | Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression | | Descriptor: | ARSENIC, SODIUM ION, Transcriptional regulator ArsR | | Authors: | Prabaharan, C, Kandavelu, P, Packianathan, C, Rosen, P.B, Thiyagarajan, S. | | Deposit date: | 2018-12-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression.
J.Struct.Biol., 207, 2019
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7PJY
 | | Structure of the 70S-EF-G-GDP ribosome complex with tRNAs in chimeric state 1 (CHI1-EF-G-GDP) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | | Deposit date: | 2021-08-24 | | Release date: | 2021-10-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement.
Nat Commun, 12, 2021
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5M07
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant | | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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3QW6
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-26 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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5M09
 | | Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant | | Descriptor: | SODIUM ION, Serine/threonine-protein kinase PknI | | Authors: | Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
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7PJS
 | | Structure of the 70S ribosome with tRNAs in the classical pre-translocation state and apramycin (C) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Petrychenko, V, Peng, B.Z, Schwarzer, A.C, Peske, F, Rodnina, M.V, Fischer, N. | | Deposit date: | 2021-08-24 | | Release date: | 2021-10-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Structural mechanism of GTPase-powered ribosome-tRNA movement
Nat Commun, 12, 2021
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5M1D
 | | Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2016-10-07 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
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