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3V5D
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HLA-A2.1 KVAELVHFL
分子名称: Beta-2-microglobulin, HIV peptide KVAELVHFL, HLA class I histocompatibility antigen, ...
著者Collins, E.J, Lee, H.Y.
登録日2011-12-16
公開日2012-12-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of conformation and immunogenicity of peptides bound to MHC molecules
To be Published
6HOJ
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Structure of Beclin1 LIR motif bound to GABARAP
分子名称: 1,2-ETHANEDIOL, Beclin-1,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION
著者Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T.
登録日2018-09-17
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs.
Autophagy, 15, 2019
6HPF
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Structure of Inactive E165Q mutant of fungal non-CBM carrying GH26 endo-b-mannanase from Yunnania penicillata in complex with alpha-62-61-di-galactosyl-mannotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
著者von Freiesleben, P, Moroz, O.V, Blagova, E, Wiemann, M, Spodsberg, N, Agger, J.W, Davies, G.J, Wilson, K.S, Stalbrand, H, Meyer, A.S, Krogh, K.B.R.M.
登録日2018-09-20
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-beta-mannanase from Yunnania penicillata.
Sci Rep, 9, 2019
4ZNS
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
分子名称: 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3V5K
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HLA2.1 KVAELVWFL
分子名称: Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAELVWFL, ...
著者Collins, E.J, Lee, H.Y.
登録日2011-12-16
公開日2012-12-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Prediction of Immunogenicity of altered-peptide ligands to HIV bound to MHC
To be Published
1HWV
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MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
分子名称: (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
著者Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
登録日2001-01-10
公開日2001-03-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
1HX4
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MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
分子名称: (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
著者Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
登録日2001-01-11
公開日2001-03-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
6HT1
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BU of 6ht1 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
分子名称: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-10-02
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
2G6X
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Crystal structure of a novel green fluorescent protein from marine copepod Pontellina plumata
分子名称: green fluorescent protein 2
著者Evdokimov, A.G, Pokross, M.E, Chudakov, D.M.
登録日2006-02-26
公開日2006-03-28
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the fast maturation of Arthropoda green fluorescent protein.
Embo Rep., 7, 2006
5OWX
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BU of 5owx by Molmil
Inside-out FMDV A10 capsid
分子名称: Genome polyprotein
著者Kotecha, A, Malik, N, Fry, E.E, Stuart, D.I.
登録日2017-09-04
公開日2017-09-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structures of foot and mouth disease virus pentamers: Insight into capsid dissociation and unexpected pentamer reassociation.
PLoS Pathog., 13, 2017
8EHK
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BU of 8ehk by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
To Be Published
4K80
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BU of 4k80 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
8EHM
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BU of 8ehm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
To Be Published
8EHL
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BU of 8ehl by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHJ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
To Be Published
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
分子名称: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
著者Park, E, Eck, M.J.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.537 Å)
主引用文献Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018
7NCB
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BU of 7ncb by Molmil
Glutathione-S-transferase GliG mutant H26A
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC2
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BU of 7nc2 by Molmil
Glutathione-S-transferase GliG (space group P3221)
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
1CE9
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BU of 1ce9 by Molmil
HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER
分子名称: PROTEIN (GCN4-PMSE)
著者Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R.
登録日1999-03-18
公開日1999-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Helix capping in the GCN4 leucine zipper.
J.Mol.Biol., 288, 1999
2QX0
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BU of 2qx0 by Molmil
Crystal Structure of Yersinia pestis HPPK (Ternary Complex)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2007-08-10
公開日2007-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics.
Acta Crystallogr.,Sect.D, 63, 2007
2QEP
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BU of 2qep by Molmil
Crystal structure of the D1 domain of PTPRN2 (IA2beta)
分子名称: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase N2
著者Ugochukwu, E, Barr, A, Alfano, I, Berridge, G, Burgess-Brown, N, Das, S, Fedorov, O, King, O, Niesen, F, Watt, S, Savitsky, P, Salah, E, Pike, A.C.W, Bunkoczi, G, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-06-26
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
4GAO
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DCNL complex with N-terminally acetylated NEDD8 E2 peptide
分子名称: BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12
著者Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A.
登録日2012-07-25
公開日2012-11-28
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
3LIK
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Human MMP12 in complex with non-zinc chelating inhibitor
分子名称: ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
著者Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F.
登録日2010-01-25
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.
J.Biol.Chem., 285, 2010
6DDW
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BU of 6ddw by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid
分子名称: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ...
著者Hajian, B, Scocchera, E, Wright, D.
登録日2018-05-10
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
7NPT
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Cytosolic bridge of an intact ESX-5 inner membrane complex
分子名称: ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
著者Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
登録日2021-02-28
公開日2021-05-26
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021

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