5ZGM
 
 | | Crystal Structure of Parvalbumin SPVI, the Major Allergens in Mustelus griseus | | Descriptor: | CALCIUM ION, Parvalbumin SPVI, SULFATE ION | | Authors: | Yang, R.Q, Chen, Y.L, Jin, T.C, Cao, M.J. | | Deposit date: | 2018-03-09 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Purification, Characterization, and Crystal Structure of Parvalbumins, the Major Allergens in Mustelus griseus.
J. Agric. Food Chem., 66, 2018
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5E1R
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1EGF
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5EM1
 | | Crystal structure of ragweed allergen Amb a 8 | | Descriptor: | BENZOIC ACID, CHLORIDE ION, Profilin | | Authors: | Offermann, L.R, He, J.Z, Perdue, M.L, Chruszcz, M. | | Deposit date: | 2015-11-05 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
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5FEG
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5F8U
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8IF2
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BQ.1.1 variant spike protein in complex with its receptor ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Kimura, K, Suzuki, T, Hashiguchi, T. | | Deposit date: | 2023-02-17 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Convergent evolution of SARS-CoV-2 Omicron subvariants leading to the emergence of BQ.1.1 variant.
Nat Commun, 14, 2023
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3BBG
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5FDS
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5FEF
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2BBG
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5XND
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4DNS
 | | Crystal structure of Bermuda grass isoallergen BG60 provides insight into the various cross-allergenicity of the pollen group 4 allergens | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD-linked oxidoreductase BG60, ... | | Authors: | Huang, T.H, Peng, H.J, Su, S.N, Liaw, S.H. | | Deposit date: | 2012-02-08 | | Release date: | 2012-12-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Various cross-reactivity of the grass pollen group 4 allergens: crystallographic study of the Bermuda grass isoallergen Cyn d 4.
Acta Crystallogr.,Sect.D, 68, 2012
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5NGR
 | | Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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5NGS
 | | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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5FPQ
 | | Structure of Homo sapiens acetylcholinesterase phosphonylated by sarin. | | Descriptor: | ACETYLCHOLINESTERASE, PENTAETHYLENE GLYCOL | | Authors: | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | | Deposit date: | 2015-12-02 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1S32
 | | Molecular Recognition of the Nucleosomal 'Supergroove' | | Descriptor: | 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE, 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, ... | | Authors: | Edayathumangalam, R.S, Weyermann, P, Gottesfeld, J.M, Dervan, P.B, Luger, K. | | Deposit date: | 2004-01-12 | | Release date: | 2004-05-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular Recognition of the Nucleosomal 'Supergroove'
Proc.Natl.Acad.Sci.USA, 101, 2004
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5NGT
 | | Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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8K4Q
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5FPP
 | | Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6 | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | Authors: | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | | Deposit date: | 2015-12-02 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3B29
 | | Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside | | Descriptor: | GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Seleno-detergent MAD phasing of leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside
Acta Crystallogr.,Sect.F, 67, 2011
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4ESP
 | | Crystal Structure of Peanut Allergen Ara h 5 | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Profilin | | Authors: | Wang, Y, Zhang, Y.Z. | | Deposit date: | 2012-04-23 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of Peanut ( Arachis hypogaea ) Allergen Ara h 5.
J.Agric.Food Chem., 61, 2013
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3CAY
 | | Crystal structure of Lipopeptide Detergent (LPD-12) | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LPD-12 | | Authors: | Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G. | | Deposit date: | 2008-02-20 | | Release date: | 2008-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of a self-assembling lipopeptide detergent at 1.20 A.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2OHX
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5XOH
 | | Crystal structure of bergaptol o-methyltransferase complex | | Descriptor: | 4-oxidanylfuro[3,2-g]chromen-7-one, Bergaptol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Zhou, Y, Zeng, Z. | | Deposit date: | 2017-05-28 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of bergaptol o-methyltransferase complex
To Be Published
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