3DIX
 
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5B5H
 | | Hydrophobic ice-binding site confer hyperactivity on antifreeze protein from a snow mold fungus | | Descriptor: | Antifreeze protein, SODIUM ION, SULFATE ION | | Authors: | Cheng, J, Hanada, Y, Miura, A, Tsuda, S, Kondo, H. | | Deposit date: | 2016-05-06 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Hydrophobic ice-binding sites confer hyperactivity of an antifreeze protein from a snow mold fungus.
Biochem.J., 473, 2016
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6UAI
 | | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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6YZ0
 | | Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD) | | Descriptor: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
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5BQF
 | | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obaidi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid
to be published
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5F71
 | | Human T-cell immunoglobulin and mucin domain protein 3 (hTIM-3) | | Descriptor: | Hepatitis A virus cellular receptor 2, SODIUM ION | | Authors: | Gao, G.F, Lu, G, Wang, H, Qi, J. | | Deposit date: | 2015-12-07 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
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191D
 | | CRYSTAL STRUCTURE OF INTERCALATED FOUR-STRANDED D(C3T) | | Descriptor: | DNA (5'-D(*CP*CP*CP*T)-3'), SODIUM ION | | Authors: | Kang, C, Berger, I, Lockshin, C, Ratliff, R, Moyzis, R, Rich, A. | | Deposit date: | 1994-09-29 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of intercalated four-stranded d(C3T) at 1.4 angstroms resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
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3DKK
 | | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Nachon, F, Carletti, E. | | Deposit date: | 2008-06-25 | | Release date: | 2008-12-02 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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6Z5J
 | | Arrangement of the matrix protein M1 in influenza A/Hong Kong/1/1968 VLPs (HA,NA,M1,M2) | | Descriptor: | Matrix protein 1 | | Authors: | Peukes, J, Xiong, X, Erlendsson, S, Qu, K, Wan, W, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-14 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | The native structure of the assembled matrix protein 1 of influenza A virus.
Nature, 587, 2020
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5F00
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | | Descriptor: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5BMW
 | | Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P. | | Deposit date: | 2015-05-23 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
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6YXX
 | | State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate | | Descriptor: | 12S ribosomal RNA, 50S ribosomal protein L13, putative, ... | | Authors: | Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2020-05-04 | | Release date: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
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6ZIV
 | | Crystal structure of a Beta-glucosidase from Alicyclobacillus acidiphilus | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, ... | | Authors: | Gourlay, L.J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Producing natural vanilla extract from green vanilla beans using a beta-glucosidase from Alicyclobacillus acidiphilus.
J.Biotechnol., 329, 2021
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5BNH
 | | Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | | Deposit date: | 2015-05-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
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6YXY
 | | State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate | | Descriptor: | 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2020-05-04 | | Release date: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
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5BRB
 | | Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P. | | Deposit date: | 2015-05-30 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
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5EZX
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | Descriptor: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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6YUX
 | | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
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6Z5T
 | | SARS-CoV-2 Macrodomain in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION | | Authors: | Zorzini, V, Rack, J, Ahel, I. | | Deposit date: | 2020-05-27 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
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5LQ7
 | | Salmonella effector SpvD - G161 variant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 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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6YT4
 | | Crystal structure of the N112A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Maliar, N, Astashkin, R, Gordeliy, V. | | Deposit date: | 2020-04-23 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2
Crystals, 2020
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6UBE
 | | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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3A6T
 | | Crystal structure of MutT-8-OXO-DGMP complex | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2009-09-09 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
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6TX7
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