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5MU1
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UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum soaked with K2PtI6
分子名称: CALCIUM ION, IODIDE ION, PLATINUM (II) ION, ...
著者Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
登録日2017-01-11
公開日2017-07-26
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3ITE
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BU of 3ite by Molmil
The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase
分子名称: CHLORIDE ION, SULFATE ION, SidN siderophore synthetase
著者Lee, T.V, Lott, J.S, Johnson, R.D, Johnson, L.J, Arcus, V.L.
登録日2009-08-28
公開日2009-11-17
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis
J.Biol.Chem., 285, 2010
4WYH
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BU of 4wyh by Molmil
Crystal structure of PriX from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: IODIDE ION, Uncharacterized protein
著者Ouyang, S.
登録日2014-11-17
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
4W4T
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BU of 4w4t by Molmil
The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
分子名称: ACETATE ION, MxaA
著者Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J.
登録日2014-08-15
公開日2015-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
4W7P
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BU of 4w7p by Molmil
Crystal Structure of ROCK 1 bound to YB-15-QD37
分子名称: N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1
著者Sprague, E.R.
登録日2014-08-22
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.
Bioorg.Med.Chem.Lett., 24, 2014
2KI7
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BU of 2ki7 by Molmil
The solution structure of RPP29-RPP21 complex from Pyrococcus furiosus
分子名称: Ribonuclease P protein component 1, Ribonuclease P protein component 4, ZINC ION
著者Xu, Y, Foster, M.P.
登録日2009-04-28
公開日2009-09-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of an archaeal RNase P binary protein complex: formation of the 30-kDa complex between Pyrococcus furiosus RPP21 and RPP29 is accompanied by coupled protein folding and highlights critical features for protein-protein and protein-RNA interactions.
J.Mol.Biol., 393, 2009
5XOA
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BU of 5xoa by Molmil
Thanatin M21F in complex with LPS
分子名称: Thanatin
著者Sinha, S, Bhattacharyya, S.
登録日2017-05-27
公開日2018-06-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Thanatin M21F in complex with LPS
To Be Published
5XER
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BU of 5xer by Molmil
TK9 NMR structure in DPC micelle
分子名称: THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS
著者Ghosh, A, Bhunia, A.
登録日2017-04-05
公開日2018-04-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights of a self-assembling 9-residue peptide from the C-terminal tail of the SARS corona virus E-protein in DPC and SDS micelles: A combined high and low resolution spectroscopic study.
Biochim Biophys Acta Biomembr, 1860, 2018
2KIR
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BU of 2kir by Molmil
Solution structure of a designer toxin, mokatoxin-1
分子名称: Designer toxin
著者Biancalana, M, Koide, A, Takacs, Z, Goldstein, S, Koide, S.
登録日2009-05-07
公開日2009-12-29
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献A designer ligand specific for Kv1.3 channels from a scorpion neurotoxin-based library.
Proc.Natl.Acad.Sci.USA, 106, 2009
5KQF
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BU of 5kqf by Molmil
(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1
分子名称: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1
著者Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A.
登録日2016-07-06
公開日2016-09-07
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
5KR8
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BU of 5kr8 by Molmil
(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1
分子名称: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION
著者Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A.
登録日2016-07-07
公開日2016-09-07
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
8DKF
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BU of 8dkf by Molmil
Antibody DH1030.1 Fab fragment
分子名称: DH1030.1 Heavy chain, DH1030.1 Light chain
著者Gobeil, S, Acharya, P.
登録日2022-07-05
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DH1030.1 glycan reactive Ab
To Be Published
6WM1
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BU of 6wm1 by Molmil
Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
分子名称: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
著者Martin, S.F, Clements, J.H.
登録日2020-04-20
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
8QQ5
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BU of 8qq5 by Molmil
Structure of WT SpNox DH domain: a bacterial NADPH oxidase.
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase
著者Thepaut, M, Petit-Hartlein, I, Vermot, A, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F.
登録日2023-10-03
公開日2024-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
8QQ7
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BU of 8qq7 by Molmil
Structure of SpNOX: a Bacterial NADPH oxidase
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE
著者Thepaut, M, Petit-Hartlein, I, Vermot, A, Chaptal, V, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F.
登録日2023-10-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
4U8T
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BU of 4u8t by Molmil
Crystal structure of YTH domain of Zygosaccharomyces rouxii MRB1 protein in complex with N6-Methyladenosine RNA
分子名称: RNA (5'-R(*AP*GP*GP*(6MZ)P*CP*AP*U)-3'), ZYRO0G01672p
著者Luo, S, Tong, L.
登録日2014-08-04
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for the recognition of methylated adenines in RNA by the eukaryotic YTH domain.
Proc.Natl.Acad.Sci.USA, 111, 2014
6WO2
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BU of 6wo2 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
分子名称: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
著者Martin, S.F, Clements, J.H.
登録日2020-04-24
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6XHZ
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BU of 6xhz by Molmil
Alpha-lytic protease homolog N4
分子名称: N4: hypothetical protein, SULFATE ION
著者Nixon, C.F, Marqusee, S.M, Gee, C.L.
登録日2020-06-19
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the Evolutionary History of Kinetic Stability in the alpha-Lytic Protease Family.
Biochemistry, 60, 2021
5LG4
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BU of 5lg4 by Molmil
Crystal structure of the Sec3/Sso2 complex at 2.9 angstrom resolution
分子名称: Exocyst complex component SEC3, Protein SSO2, SULFATE ION
著者Zhang, Y.B, Dong, G.
登録日2016-07-05
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Sec3 promotes the initial binary t-SNARE complex assembly and membrane fusion.
Nat Commun, 8, 2017
8QQ1
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BU of 8qq1 by Molmil
SpNOX dehydrogenase domain, mutant F397W in complex with Flavin adenine dinucleotide (FAD)
分子名称: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase
著者Humm, A.S, Dupeux, F, Vermot, A, Petit-Harleim, I, Fieschi, F, Marquez, J.A.
登録日2023-10-03
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
5M4Y
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BU of 5m4y by Molmil
Crystal structure of the Sec3/Sso2 complex at 2.20 angstrom resolution
分子名称: Exocyst complex component SEC3, GLYCEROL, Protein SSO2
著者Zhang, Y.B, Dong, G.
登録日2016-10-19
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sec3 promotes the initial binary t-SNARE complex assembly and membrane fusion.
Nat Commun, 8, 2017
4H0P
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BU of 4h0p by Molmil
Crystal Structure of Acetate Kinase from Cryptococcus neoformans
分子名称: acetate kinase
著者Thaker, T.M, Iverson, T.M.
登録日2012-09-09
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Crystal structures of acetate kinases from the eukaryotic pathogens Entamoeba histolytica and Cryptococcus neoformans.
J.Struct.Biol., 181, 2013
4H0O
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BU of 4h0o by Molmil
Crystal Structure of Acetate Kinase from Entamoeba histolytica
分子名称: Acetate kinase
著者Thaker, T.M, Tanabe, M, Iverson, T.M.
登録日2012-09-09
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of acetate kinases from the eukaryotic pathogens Entamoeba histolytica and Cryptococcus neoformans.
J.Struct.Biol., 181, 2013
1ZXL
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BU of 1zxl by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-08
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
4MGH
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BU of 4mgh by Molmil
Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
登録日2013-08-28
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013

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