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3T9L
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BU of 3t9l by Molmil
Structure of N-terminal DUSP-UBL domains of human USP15
分子名称: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
著者Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I.
登録日2011-08-03
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains
Biochemistry, 50, 2011
4MEL
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BU of 4mel by Molmil
Crystal Structure of the human USP11 DUSP-UBL domains
分子名称: Ubiquitin carboxyl-terminal hydrolase 11
著者Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
登録日2013-08-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
4MEM
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BU of 4mem by Molmil
Crystal Structure of the rat USP11 DUSP-UBL domains
分子名称: Ubiquitin carboxyl-terminal hydrolase 11
著者Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
登録日2013-08-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
1MJA
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BU of 1mja by Molmil
Crystal structure of yeast Esa1 histone acetyltransferase domain complexed with acetyl coenzyme A
分子名称: COENZYME A, Esa1 protein
著者Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
登録日2002-08-27
公開日2002-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
6RPB
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BU of 6rpb by Molmil
Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6RPA
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BU of 6rpa by Molmil
Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
3COQ
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BU of 3coq by Molmil
Structural Basis for Dimerization in DNA Recognition by Gal4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ...
著者Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
登録日2008-03-29
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
3NWT
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BU of 3nwt by Molmil
Crystal structure of the N-terminal domain of the yeast telomere-binding and telomerase regulatory protein Cdc13
分子名称: Cell division control protein 13
著者Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E.
登録日2010-07-10
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cdc13 N-terminal dimerization, DNA binding, and telomere length regulation.
Mol.Cell.Biol., 30, 2010
3NWS
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BU of 3nws by Molmil
Crystal structure of the N-terminal domain of the yeast telomere-binding and telomerase regulatory protein Cdc13
分子名称: Cell division control protein 13
著者Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E.
登録日2010-07-10
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cdc13 N-terminal dimerization, DNA binding, and telomere length regulation.
Mol.Cell.Biol., 30, 2010
6TRO
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BU of 6tro by Molmil
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
分子名称: Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ...
著者Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
登録日2019-12-19
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
6TRN
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BU of 6trn by Molmil
Crystal structure of HLA A2*01-AVYDGREHTV
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ...
著者Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
登録日2019-12-19
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
4L4S
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BU of 4l4s by Molmil
Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
分子名称: L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
1MJB
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BU of 1mjb by Molmil
Crystal structure of yeast Esa1 histone acetyltransferase E338Q mutant complexed with acetyl coenzyme A
分子名称: ACETYL COENZYME *A, Esa1 protein
著者Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
登録日2002-08-27
公開日2002-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
1MJ9
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BU of 1mj9 by Molmil
Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A
分子名称: COENZYME A, ESA1 PROTEIN, SODIUM ION
著者Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
登録日2002-08-27
公開日2002-10-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
5JPZ
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BU of 5jpz by Molmil
Crystal structure of HAT domain of human Squamous Cell Carcinoma Antigen Recognized By T Cells 3, SART3 (TIP110)
分子名称: Squamous cell carcinoma antigen recognized by T-cells 3
著者Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I.
登録日2016-05-04
公開日2016-05-11
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (3.045 Å)
主引用文献unpublished
To Be Published
4HCE
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BU of 4hce by Molmil
Crystal structure of the telomeric Saccharomyces cerevisiae Cdc13 OB2 domain
分子名称: Cell division control protein 13
著者Mason, M, Wannat, J.J, Harper, S, Schultz, D.C, Speicher, D.W, Johnson, F.B, Skordalakes, E.
登録日2012-09-29
公開日2012-11-28
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cdc13 OB2 Dimerization Required for Productive Stn1 Binding and Efficient Telomere Maintenance.
Structure, 21, 2013
1W3C
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BU of 1w3c by Molmil
Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
分子名称: 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, NONSTRUCTURAL PROTEIN NS4A (P4), ...
著者Di Marco, S, Volpari, C.
登録日2004-07-14
公開日2004-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47, 2004
6ER5
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BU of 6er5 by Molmil
X-ray structure of Trypanothione Reductase from Leishmania infantum in complex with 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
分子名称: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ilari, A, Fiorillo, A.
登録日2017-10-17
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
分子名称: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S.
登録日2009-03-17
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
2BRL
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BU of 2brl by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
分子名称: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2BRK
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Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
分子名称: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005

 

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