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3V5D
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BU of 3v5d by Molmil
HLA-A2.1 KVAELVHFL
Descriptor: Beta-2-microglobulin, HIV peptide KVAELVHFL, HLA class I histocompatibility antigen, ...
Authors:Collins, E.J, Lee, H.Y.
Deposit date:2011-12-16
Release date:2012-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of conformation and immunogenicity of peptides bound to MHC molecules
To be Published
6HOJ
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BU of 6hoj by Molmil
Structure of Beclin1 LIR motif bound to GABARAP
Descriptor: 1,2-ETHANEDIOL, Beclin-1,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION
Authors: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.
Deposit date:2018-09-17
Release date:2019-02-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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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BU of 6hpf by Molmil
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
Authors: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.
Deposit date:2018-09-20
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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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BU of 4zns by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
Descriptor: 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
Authors: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.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3V5K
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BU of 3v5k by Molmil
HLA2.1 KVAELVWFL
Descriptor: Beta-2-microglobulin, GLYCEROL, HIV-based altered-peptide ligand KVAELVWFL, ...
Authors:Collins, E.J, Lee, H.Y.
Deposit date:2011-12-16
Release date:2012-12-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Prediction of Immunogenicity of altered-peptide ligands to HIV bound to MHC
To be Published
1HWV
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BU of 1hwv by Molmil
MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
Descriptor: (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'
Authors:Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
Deposit date:2001-01-10
Release date:2001-03-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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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BU of 1hx4 by Molmil
MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
Descriptor: (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'
Authors:Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
Deposit date:2001-01-11
Release date:2001-03-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors: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)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
2G6X
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BU of 2g6x by Molmil
Crystal structure of a novel green fluorescent protein from marine copepod Pontellina plumata
Descriptor: green fluorescent protein 2
Authors:Evdokimov, A.G, Pokross, M.E, Chudakov, D.M.
Deposit date:2006-02-26
Release date:2006-03-28
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Genome polyprotein
Authors:Kotecha, A, Malik, N, Fry, E.E, Stuart, D.I.
Deposit date:2017-09-04
Release date:2017-09-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite: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)
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-17
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.051 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHJ
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BU of 8ehj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
Authors:Park, E, Eck, M.J.
Deposit date:2018-04-26
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.537 Å)
Cite: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
Descriptor: Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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)
Descriptor: Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-28
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: PROTEIN (GCN4-PMSE)
Authors:Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R.
Deposit date:1999-03-18
Release date:1999-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2007-08-10
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase N2
Authors: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)
Deposit date:2007-06-26
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
4GAO
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BU of 4gao by Molmil
DCNL complex with N-terminally acetylated NEDD8 E2 peptide
Descriptor: BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12
Authors:Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A.
Deposit date:2012-07-25
Release date:2012-11-28
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (3.28 Å)
Cite: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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BU of 3lik by Molmil
Human MMP12 in complex with non-zinc chelating inhibitor
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
Authors:Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F.
Deposit date:2010-01-25
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ...
Authors:Hajian, B, Scocchera, E, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
7NPT
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BU of 7npt by Molmil
Cytosolic bridge of an intact ESX-5 inner membrane complex
Descriptor: ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021

224004

數據於2024-08-21公開中

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