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6BHG
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BU of 6bhg by Molmil
Crystal structure of SETDB1 with a modified H3 peptide
分子名称: Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-10-30
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
5YFY
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BU of 5yfy by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS625
分子名称: 1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献to be published
to be published
5Y02
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BU of 5y02 by Molmil
C-terminal peptide depleted mutant of hydroxynitrile lyase from Passiflora edulis (PeHNL) bound with (R)-mandelonitrile
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, HEXANE-1,6-DIOL, Hydroxynitrile lyase, ...
著者Motojima, F, Nuylert, A, Asano, Y.
登録日2017-07-14
公開日2017-11-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure and catalytic mechanism of hydroxynitrile lyase from passion fruit, Passiflora edulis
FEBS J., 285, 2018
3WME
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BU of 3wme by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter
分子名称: ATP-binding cassette, sub-family B, member 1, ...
著者Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
登録日2013-11-18
公開日2014-03-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
6SXS
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BU of 6sxs by Molmil
GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
登録日2019-09-26
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
5Y19
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BU of 5y19 by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide.
分子名称: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ...
著者Marapaka, A.K, Zhang, Y, Addlagatta, A.
登録日2017-07-19
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide.
To Be Published
4Y25
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BU of 4y25 by Molmil
Bacterial polysaccharide outer membrane secretin
分子名称: Poly-beta-1,6-N-acetyl-D-glucosamine export protein
著者Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y.
登録日2015-02-09
公開日2016-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
6T08
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BU of 6t08 by Molmil
Crystal structure of YTHDC1 with fragment 21 (DHU_DC1_131)
分子名称: SULFATE ION, YTHDC1, ~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5YJL
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BU of 5yjl by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with NADPH and GBP
分子名称: Glutamyl-tRNA reductase 1, Glutamyl-tRNA reductase-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhao, A, Han, F.
登録日2017-10-11
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Arabidopsis thaliana glutamyl-tRNAGlureductase in complex with NADPH and glutamyl-tRNAGlureductase binding protein
Photosyn. Res., 137, 2018
4Y39
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BU of 4y39 by Molmil
Endothiapepsin in complex with fragment 75
分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8J1K
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BU of 8j1k by Molmil
co-crystal structure of non-carboxylic acid inhibitor with PHD2
分子名称: Egl nine homolog 1, MANGANESE (II) ION, N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide
著者Xu, J, Fu, Y, Ding, X, Meng, Q, Wang, L, Zhang, M, Ding, X, Ren, F, Zhavoronkov, A.
登録日2023-04-13
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献co-crystal structure of non-carboxylic acid inhibitor with PHD2
To Be Published
6SF7
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BU of 6sf7 by Molmil
Atomic resolution structure of SplF protease from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Golik, P, Stach, N, Karim, A, Dubin, G.
登録日2019-08-01
公開日2021-03-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus .
Int J Mol Sci, 22, 2021
8JH8
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BU of 8jh8 by Molmil
Structure-based characterization and improvement of an enzymatic activity of Acremonium alcalophilum feruloyl esterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Feruloyl esterase, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-05-22
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Characterization and Improvement of an Enzymatic Activity of Acremonium alcalophilum Feruloyl Esterase
Acs Sustain Chem Eng, 12, 2024
8IYM
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BU of 8iym by Molmil
Crystal structure of a protein acetyltransferase, HP0935
分子名称: 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ...
著者Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
登録日2023-04-05
公開日2024-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a protein acetyltransferase, HP0935
To be published
8JH9
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BU of 8jh9 by Molmil
Structure-based characterization and improvement of an enzymatic activity of Acremonium alcalophilum feruloyl esterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Feruloyl esterase with ferulic acid, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-05-22
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Characterization and Improvement of an Enzymatic Activity of Acremonium alcalophilum Feruloyl Esterase
Acs Sustain Chem Eng, 12, 2024
5Y9N
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BU of 5y9n by Molmil
Crystal structure of Pyrococcus furiosus PbaA (monoclinic form), an archaeal homolog of proteasome-assembly chaperone
分子名称: CHLORIDE ION, PbaA
著者Yagi-Utsumi, M, Sikdar, A, Kozai, T, Inoue, R, Sugiyama, M, Uchihashi, T, Satoh, T, Kato, K.
登録日2017-08-26
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Conversion of functionally undefined homopentameric protein PbaA into a proteasome activator by mutational modification of its C-terminal segment conformation
Protein Eng. Des. Sel., 31, 2018
7L8A
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BU of 7l8a by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-1 from animal Rh.33104 (Wk26 time point)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Torrents de la Pena, A, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
8IYO
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BU of 8iyo by Molmil
Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
分子名称: ACETYL COENZYME *A, N-acetyltransferase domain-containing protein
著者Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
登録日2023-04-05
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
4Y36
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BU of 4y36 by Molmil
Endothiapepsin in complex with fragment 4
分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
1SOQ
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BU of 1soq by Molmil
Crystal structure of the transthyretin mutant A108Y/L110E solved in space group C2
分子名称: Transthyretin
著者Hornberg, A, Olofsson, A, Eneqvist, T, Lundgren, E, Sauer-Eriksson, A.E.
登録日2004-03-15
公開日2004-07-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The beta-strand D of transthyretin trapped in two discrete conformations
Biochim.Biophys.Acta, 1700, 2004
5Y06
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BU of 5y06 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
分子名称: GLYCEROL, ZINC ION, msmeg_4306
著者Kumar, A, Karthikeyan, S.
登録日2017-07-14
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
4Y3G
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BU of 4y3g by Molmil
Endothiapepsin in complex with fragment 285
分子名称: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3X
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BU of 4y3x by Molmil
Endothiapepsin in complex with fragment 171
分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4A
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BU of 4y4a by Molmil
Endothiapepsin in complex with fragment 286
分子名称: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.278 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5YG1
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BU of 5yg1 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS704
分子名称: 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献to be published
to be published

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