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5LZ8
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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
6UUJ
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BU of 6uuj by Molmil
Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space group P212121
分子名称: ESX-3 secretion-associated protein EspG3, PE family immunomodulator PE5, PPE family protein PPE4
著者Williamson, Z.A, Korotkov, K.V.
登録日2019-10-30
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献PE5-PPE4-EspG3heterotrimer structure from mycobacterial ESX-3 secretion system gives insight into cognate substrate recognition by ESX systems.
J.Biol.Chem., 295, 2020
6YD5
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SaFtsZ-UCM151 (comp. 18)
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide, ...
著者Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
登録日2020-03-20
公開日2021-07-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
5LZM
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COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
登録日1991-01-25
公開日1992-07-15
最終更新日2021-06-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
8GMS
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BU of 8gms by Molmil
Structure of LexA in complex with RecA filament
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), LexA repressor, MAGNESIUM ION, ...
著者Gao, B, Feng, Y.
登録日2022-08-22
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural basis for regulation of SOS response in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
4MVK
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Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide fragment VFFAED
分子名称: Amyloid peptide fragment VFFAED, Neutrophil gelatinase-associated lipocalin
著者Eichinger, A, Skerra, A.
登録日2013-09-24
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
4GL7
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BU of 4gl7 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5)
分子名称: (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者Ghosh, D.
登録日2012-08-13
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
6V6T
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BU of 6v6t by Molmil
Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata
分子名称: Delta-theraphotoxin-Hm1b
著者Chin, Y.K.Y, Chow, C.Y, King, G.F.
登録日2019-12-05
公開日2020-05-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A selective Na V 1.1 activator with potential for treatment of Dravet syndrome epilepsy.
Biochem Pharmacol, 181, 2020
6V22
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Cryo-EM structure of Ca2+-bound hsSlo1-beta4 channel complex
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tao, X, MacKinnon, R.
登録日2019-11-22
公開日2019-12-25
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular structures of the human Slo1 K + channel in complex with beta 4.
Elife, 8, 2019
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
1YQK
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BU of 1yqk by Molmil
Human 8-oxoguanine glycosylase crosslinked with guanine containing DNA
分子名称: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*G)-3', 5'-D(P*CP*AP*GP*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-01
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQR
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BU of 1yqr by Molmil
Catalytically inactive human 8-oxoguanine glycosylase crosslinked to oxoG containing DNA
分子名称: 5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-02
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
4N0K
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Atomic resolution crystal structure of a cytochrome c-calixarene complex
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, HEME C
著者McGovern, R.E, Pye, V.E, Crowley, P.B.
登録日2013-10-02
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献A cytochrome c-calixarene structure at atomic resolution
To be Published
6Y0G
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BU of 6y0g by Molmil
Structure of human ribosome in classical-PRE state
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
登録日2020-02-07
公開日2020-04-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
8RM6
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BU of 8rm6 by Molmil
Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE
分子名称: C3(1)ARE_Chain C, C3(1)ARE_Chain D, Isoform 2 of Androgen receptor, ...
著者Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F.
登録日2024-01-05
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural mechanism underlying variations in DNA binding by the androgen receptor.
J.Steroid Biochem.Mol.Biol., 241, 2024
8RM7
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BU of 8rm7 by Molmil
Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: MMTV-177 GRE/ARE
分子名称: Isoform 2 of Androgen receptor, MMTV-177 GRE/ARE Chain C, MMTV-177 GRE/ARE, ...
著者Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F.
登録日2024-01-05
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural mechanism underlying variations in DNA binding by the androgen receptor.
J.Steroid Biochem.Mol.Biol., 241, 2024
5XZR
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BU of 5xzr by Molmil
The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b
分子名称: 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Li, D, Xie, J, Zhu, J, Liu, C.
登録日2017-07-13
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017
5LVG
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Hen Egg White Lysozyme co-crystallized with cis-Ru(DMSO)4Cl2
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Kurpiewska, K, Halajko, P, Lewinski, K.
登録日2016-09-14
公開日2016-09-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVK
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Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
分子名称: CHLORIDE ION, Lysozyme C, NITRATE ION, ...
著者Kurpiewska, K, Szura, A, Lewinski, K.
登録日2016-09-14
公開日2016-09-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
6YY3
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BU of 6yy3 by Molmil
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, t=0 diferrous state prior to oxygen activation
分子名称: FE (II) ION, GLYCEROL, Methane monooxygenase, ...
著者Srinivas, V, Hogbom, M.
登録日2020-05-04
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
分子名称: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
5D9V
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BU of 5d9v by Molmil
Crystal structure of oxidized dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Dehydroascorbate reductase
著者Do, H, Lee, J.H.
登録日2015-08-19
公開日2016-02-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
8K7C
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BU of 8k7c by Molmil
Outward-facing structure of human ABCB6 W546A mutant (ADP/VO4-bound)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION, ...
著者Jin, M.S, Lee, S.S, Park, J.G, Jang, E, Choi, S.H, Kim, S, Kim, J.W.
登録日2023-07-26
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献W546 stacking disruption traps the human porphyrin transporter ABCB6 in an outward-facing transient state.
Commun Biol, 6, 2023
5LZ2
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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LYR
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BU of 5lyr by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2016-09-28
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017

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