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3T9L
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BU of 3t9l by Molmil
Structure of N-terminal DUSP-UBL domains of human USP15
Descriptor: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I.
Deposit date:2011-08-03
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Ubiquitin carboxyl-terminal hydrolase 11
Authors:Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.899 Å)
Cite: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
Descriptor: Ubiquitin carboxyl-terminal hydrolase 11
Authors:Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors: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.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
Authors: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.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite: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
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors: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.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
Descriptor: (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
Authors: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.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
3COQ
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BU of 3coq by Molmil
Structural Basis for Dimerization in DNA Recognition by Gal4
Descriptor: (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'), ...
Authors:Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
Deposit date:2008-03-29
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Cell division control protein 13
Authors:Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E.
Deposit date:2010-07-10
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Cell division control protein 13
Authors:Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E.
Deposit date:2010-07-10
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cdc13 N-terminal dimerization, DNA binding, and telomere length regulation.
Mol.Cell.Biol., 30, 2010
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
Descriptor: L-lactate dehydrogenase A chain
Authors:Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
Deposit date:2013-06-09
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4L4S
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BU of 4l4s by Molmil
Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain
Authors:Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
Deposit date:2013-06-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
6TRO
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BU of 6tro by Molmil
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
Descriptor: Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
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)
Descriptor: Squamous cell carcinoma antigen recognized by T-cells 3
Authors:Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I.
Deposit date:2016-05-04
Release date:2016-05-11
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.045 Å)
Cite:unpublished
To Be Published
1MJA
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BU of 1mja by Molmil
Crystal structure of yeast Esa1 histone acetyltransferase domain complexed with acetyl coenzyme A
Descriptor: COENZYME A, Esa1 protein
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: COENZYME A, ESA1 PROTEIN, SODIUM ION
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
1MJB
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BU of 1mjb by Molmil
Crystal structure of yeast Esa1 histone acetyltransferase E338Q mutant complexed with acetyl coenzyme A
Descriptor: ACETYL COENZYME *A, Esa1 protein
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
4HCE
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BU of 4hce by Molmil
Crystal structure of the telomeric Saccharomyces cerevisiae Cdc13 OB2 domain
Descriptor: Cell division control protein 13
Authors:Mason, M, Wannat, J.J, Harper, S, Schultz, D.C, Speicher, D.W, Johnson, F.B, Skordalakes, E.
Deposit date:2012-09-29
Release date:2012-11-28
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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), ...
Authors:Di Marco, S, Volpari, C.
Deposit date:2004-07-14
Release date:2004-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47, 2004
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
Descriptor: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-03-17
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
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
Descriptor: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Fiorillo, A.
Deposit date:2017-10-17
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
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)
Descriptor: 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
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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