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5CCN
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BU of 5ccn by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
7KUT
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BU of 7kut by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate)
分子名称: 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-11-25
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
6F6A
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BU of 6f6a by Molmil
Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with dihydrowogonin from wild-cherry extract
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Schwartz, M, Favier, F, Didierjean, C.
登録日2017-12-05
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
7KY5
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BU of 7ky5 by Molmil
Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P transition state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ...
著者Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H.
登録日2020-12-07
公開日2021-01-06
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
3O5U
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BU of 3o5u by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate
分子名称: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ...
著者Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
登録日2010-07-28
公開日2011-08-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
3O32
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BU of 3o32 by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol
分子名称: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,5-dichlorobenzene-1,2-diol, Chlorocatechol 1,2-dioxygenase, ...
著者Ferraroni, M, Briganti, F, Kolomytseva, M, Golovleva, L.
登録日2010-07-23
公開日2011-08-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
1F9D
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BU of 1f9d by Molmil
Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellotetraose
分子名称: CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R.
登録日2000-07-10
公開日2000-08-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
5FIP
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BU of 5fip by Molmil
Discovery and characterization of a novel thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, ...
著者Zarafeta, D, Kissas, D, Sayer, C, Gudbergsdottir, S.R, Ladoukakis, E, Isupov, M.N, Chatziioannou, A, Peng, X, Littlechild, J.A, Skretas, G, Kolisis, F.N.
登録日2015-10-01
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of a Thermostable and Highly Halotolerant Gh5 Cellulase from an Icelandic Hot Spring Isolate.
Plos One, 11, 2016
5CJQ
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BU of 5cjq by Molmil
Crystal structure of a trimeric influenza hemagglutinin stem in complex with an broadly neutralizing antibody CR9114
分子名称: CR9114 heavy chain, CR9114 light chain, Designed influenza hemagglutinin stem #4900, ...
著者Zhu, X, Wilson, I.A.
登録日2015-07-14
公開日2015-09-09
最終更新日2015-09-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen.
Science, 349, 2015
7KY9
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BU of 7ky9 by Molmil
Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E1-ADP state
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, ADENOSINE-5'-DIPHOSPHATE, ...
著者Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H.
登録日2020-12-07
公開日2021-01-06
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
7KYB
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BU of 7kyb by Molmil
Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E1-ADP state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H.
登録日2020-12-07
公開日2021-01-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
7L82
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BU of 7l82 by Molmil
x-ray structure of the psychrobacter cryohalolentis Pcryo_0637 N-acetyltransferase in the presene of its reaction tetrahedral intermediate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Putative acetyl transferase protein, ...
著者Linehan, M.P, Thoden, J.B, Holden, H.M.
登録日2020-12-30
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
J.Biol.Chem., 296, 2021
3NUF
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BU of 3nuf by Molmil
Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PRD-containing transcription regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-06
公開日2010-09-08
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution
To be published
3KH1
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BU of 3kh1 by Molmil
Crystal structure of Predicted metal-dependent phosphohydrolase (ZP_00055740.2) from Magnetospirillum magnetotacticum MS-1 at 1.37 A resolution
分子名称: ACETATE ION, CALCIUM ION, Predicted metal-dependent phosphohydrolase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-10-29
公開日2009-11-24
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of Predicted metal-dependent phosphohydrolase (ZP_00055740.2) from Magnetospirillum magnetotacticum MS-1 at 1.37 A resolution ;
To be published
3NSU
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BU of 3nsu by Molmil
A Systematic Screen for Protein-Lipid Interactions in Saccharomyces cerevisiae
分子名称: Phosphatidylinositol 4,5-bisphosphate-binding protein SLM1, SULFATE ION
著者Gallego, O, Fernandez-Tornero, C, Aguilar-Gurrieri, C, Muller, C, Gavin, A.C.
登録日2010-07-02
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A systematic screen for protein-lipid interactions in Saccharomyces cerevisiae.
Mol. Syst. Biol., 6, 2010
6F68
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BU of 6f68 by Molmil
Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone
分子名称: (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Schwartz, M, Favier, F, Didierjean, C.
登録日2017-12-05
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
6L0A
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BU of 6l0a by Molmil
Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae
分子名称: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
著者Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
登録日2019-09-26
公開日2020-12-02
最終更新日2021-12-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism
Molecules, 2021
6EUQ
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BU of 6euq by Molmil
MdfA(Q131R/L339E)
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ...
著者Tam, H.K, Zomot, E, Bibi, E, Pos, K.M.
登録日2017-10-31
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J. Mol. Biol., 430, 2018
5FWD
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BU of 5fwd by Molmil
Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP2
分子名称: 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, CALCIUM ION, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2016-02-12
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies of Protein Arginine Methyltransferase 2 Reveal its Interactions with Potential Substrates and Inhibitors.
FEBS J., 284, 2017
5CBV
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BU of 5cbv by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
6EX7
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BU of 6ex7 by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
分子名称: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
著者Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
登録日2017-11-07
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
3O6J
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BU of 3o6j by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol
分子名称: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ...
著者Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
登録日2010-07-29
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
5FX5
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BU of 5fx5 by Molmil
Novel inhibitors of human rhinovirus 3C protease
分子名称: GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ...
著者Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
登録日2016-02-24
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
5FWA
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BU of 5fwa by Molmil
Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP1
分子名称: 1,2-ETHANEDIOL, 9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine, CALCIUM ION, ...
著者Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
登録日2016-02-16
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017

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