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6TX9
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
5B5H
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BU of 5b5h by Molmil
Hydrophobic ice-binding site confer hyperactivity on antifreeze protein from a snow mold fungus
分子名称: Antifreeze protein, SODIUM ION, SULFATE ION
著者Cheng, J, Hanada, Y, Miura, A, Tsuda, S, Kondo, H.
登録日2016-05-06
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Hydrophobic ice-binding sites confer hyperactivity of an antifreeze protein from a snow mold fungus.
Biochem.J., 473, 2016
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6YZ0
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BU of 6yz0 by Molmil
Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD)
分子名称: 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ...
著者Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A.
登録日2020-05-06
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
5BQF
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BU of 5bqf by Molmil
Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者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)
登録日2015-05-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid
to be published
5F71
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Human T-cell immunoglobulin and mucin domain protein 3 (hTIM-3)
分子名称: Hepatitis A virus cellular receptor 2, SODIUM ION
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-07
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
191D
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BU of 191d by Molmil
CRYSTAL STRUCTURE OF INTERCALATED FOUR-STRANDED D(C3T)
分子名称: DNA (5'-D(*CP*CP*CP*T)-3'), SODIUM ION
著者Kang, C, Berger, I, Lockshin, C, Ratliff, R, Moyzis, R, Rich, A.
登録日1994-09-29
公開日1994-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of intercalated four-stranded d(C3T) at 1.4 angstroms resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
3DKK
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BU of 3dkk by Molmil
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun
分子名称: 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, ...
著者Nachon, F, Carletti, E.
登録日2008-06-25
公開日2008-12-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
5F00
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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
分子名称: (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, ...
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
6Z5J
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BU of 6z5j by Molmil
Arrangement of the matrix protein M1 in influenza A/Hong Kong/1/1968 VLPs (HA,NA,M1,M2)
分子名称: Matrix protein 1
著者Peukes, J, Xiong, X, Erlendsson, S, Qu, K, Wan, W, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2020-05-26
公開日2020-10-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献The native structure of the assembled matrix protein 1 of influenza A virus.
Nature, 587, 2020
5BMW
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Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-23
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
6YXX
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State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
分子名称: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
著者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.
登録日2020-05-04
公開日2020-10-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6ZIV
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Crystal structure of a Beta-glucosidase from Alicyclobacillus acidiphilus
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, ...
著者Gourlay, L.J.
登録日2020-06-26
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Producing natural vanilla extract from green vanilla beans using a beta-glucosidase from Alicyclobacillus acidiphilus.
J.Biotechnol., 329, 2021
5BNH
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BU of 5bnh by Molmil
Crystal structure of the HLTF HIRAN domain with a ssDNA fragment
分子名称: ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ...
著者Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S.
登録日2015-05-26
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
6YXY
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BU of 6yxy by Molmil
State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
分子名称: 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者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.
登録日2020-05-04
公開日2020-10-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
5BRB
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BU of 5brb by Molmil
Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: SODIUM ION, Triosephosphate isomerase
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-30
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献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
5EZX
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BU of 5ezx by Molmil
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
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5F01
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BU of 5f01 by Molmil
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
分子名称: (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, ...
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
6YUX
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BU of 6yux by Molmil
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
著者Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
登録日2020-04-27
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献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
6Z5T
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BU of 6z5t by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION
著者Zorzini, V, Rack, J, Ahel, I.
登録日2020-05-27
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
5LQ7
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BU of 5lq7 by Molmil
Salmonella effector SpvD - G161 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A.
登録日2016-08-16
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
6YT4
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BU of 6yt4 by Molmil
Crystal structure of the N112A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
著者Kovalev, K, Maliar, N, Astashkin, R, Gordeliy, V.
登録日2020-04-23
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the N112A Mutant of the Light-Driven Sodium Pump KR2
Crystals, 2020
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
3A6T
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BU of 3a6t by Molmil
Crystal structure of MutT-8-OXO-DGMP complex
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ...
著者Nakamura, T, Yamagata, Y.
登録日2009-09-09
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
6TX7
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020

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