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3E4A
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BU of 3e4a by Molmil
Human IDE-inhibitor complex at 2.6 angstrom resolution
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ...
著者Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J.
登録日2008-08-11
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin.
Plos One, 5, 2010
7NLV
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BU of 7nlv by Molmil
WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
分子名称: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
著者Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
7O2M
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BU of 7o2m by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289
分子名称: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OC2
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BU of 7oc2 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295
分子名称: Cyclic 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE-(7-3)-7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE-(7-19)-N-ACETYL-L-CYSTEINE-(8-25)-[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID-()-(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-25
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7O55
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BU of 7o55 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231
分子名称: Inhibitor MI-2231, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-07
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OBV
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BU of 7obv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248
分子名称: Inhibitor MI-2248, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-23
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7P3D
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BU of 7p3d by Molmil
MHC I A02 Allele presenting YLQPRTFLL
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-07-07
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7P3E
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BU of 7p3e by Molmil
MHC I A02 Allele presenting YLQLRTFLL
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-07-07
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
7OTQ
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BU of 7otq by Molmil
Cryo-EM structure of ALC1/CHD1L bound to a PARylated nucleosome
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (149-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Deindl, S.
登録日2021-06-10
公開日2021-09-15
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure and dynamics of the chromatin remodeler ALC1 bound to a PARylated nucleosome
Elife, 10, 2021
5WMQ
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BU of 5wmq by Molmil
Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide
分子名称: Beta-2-microglobulin, ELR peptide from IAV, HLA class I histocompatibility antigen, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-31
公開日2018-06-06
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
7PBE
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BU of 7pbe by Molmil
Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, Human T-cell Receptor YLQ36, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-08-02
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
5WQL
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BU of 5wql by Molmil
Structure of a PDZ-protease bound to a substrate-binding adaptor
分子名称: ALA-ALA-ALA-ALA, ALA-ALA-ALA-ALA-ALA-ALA, LEU-SER-ARG-SER, ...
著者Su, M.Y, Chang, C.I.
登録日2016-11-27
公開日2017-11-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of adaptor-mediated protein degradation by the tail-specific PDZ-protease Prc
Nat Commun, 8, 2017
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2014-10-02
公開日2014-10-22
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RSV
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BU of 4rsv by Molmil
Human Obscurin Ig58 Domain
分子名称: Obscurin
著者Wright, N.T, Oehler, M.C, Berndsen, C.E, Du Pont, K.E.
登録日2014-11-11
公開日2016-02-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Arrhythmia and deregulated Ca2+ cycling underlie the development of hypertrophic cardiomyopathy due to mutant giant obscurin
To be Published
3G3E
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BU of 3g3e by Molmil
Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)
分子名称: 3-hydroxyquinolin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Duplantier, A, Liu, S.
登録日2009-02-02
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery, SAR, and pharmacokinetics of a novel 3-Hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors
J.Med.Chem., 52, 2009
4TTV
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BU of 4ttv by Molmil
Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194
分子名称: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ...
著者Fang, P, Guo, M.
登録日2014-06-23
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
Sci Rep, 5, 2015
5YZE
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BU of 5yze by Molmil
Crystal structure of the [Co2+-(chromomycin A3)2]-d(CCG)3 complex
分子名称: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ...
著者Hou, M.H, Chen, Y.W, Wu, P.C, Satange, R.B.
登録日2017-12-14
公開日2018-10-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献CoII(Chromomycin)2 Complex Induces a Conformational Change of CCG Repeats from i-Motif to Base-Extruded DNA Duplex
Int J Mol Sci, 19, 2018
5WMN
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BU of 5wmn by Molmil
Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-30
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WMR
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BU of 5wmr by Molmil
Crystal Structure of HLA-B8 in complex with QIK, a CMV peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-31
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
3HE6
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BU of 3he6 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta8.2 NKT TCR
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, Antigen-presenting glycoprotein CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2009-05-07
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
3HE7
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BU of 3he7 by Molmil
Crystal structure of mouse CD1d-alpha-galactosylceramide with mouse Valpha14-Vbeta7 NKT TCR
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, Antigen-presenting glycoprotein CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors
Immunity, 31, 2009
1EX0
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BU of 1ex0 by Molmil
HUMAN FACTOR XIII, MUTANT W279F ZYMOGEN
分子名称: CALCIUM ION, COAGULATION FACTOR XIII A CHAIN, PHOSPHATE ION, ...
著者Garzon, R.J, Pratt, K.P, Bishop, P.D, Le Trong, I, Stenkamp, R.E, Teller, D.C.
登録日2000-04-28
公開日2003-12-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tryptophan 279 is Essential for the Transglutaminase Activity of Coagulation Factor XIII: Functional and Structural Characterization
To be Published
1EVU
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BU of 1evu by Molmil
HUMAN FACTOR XIII WITH CALCIUM BOUND IN THE ION SITE
分子名称: CALCIUM ION, COAGULATION FACTOR XIII, S-1,2-PROPANEDIOL
著者Garzon, R.J, Pratt, K.P, Bishop, P.D, Le Trong, I, Stenkamp, R.E, Teller, D.C.
登録日2000-04-20
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Tryptophan 279 is Essential for the Transglutaminase Activity of Coagulation Factor XIII: Functional and Structural Characterization
To Be Published
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021

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