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3VFP
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BU of 3vfp by Molmil
crystal structure of HLA B*3508 LPEP158G, HLA mutant Gly158
分子名称: ACETATE ION, Beta-2-microglobulin, LPEP peptide from EBV, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
3VFU
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BU of 3vfu by Molmil
crystal structure of HLA B*3508 LPEP-P7Ala, peptide mutant P7-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P7A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
7WF5
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BU of 7wf5 by Molmil
c-Src in complex with ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src
著者Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y.
登録日2021-12-26
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
3SRR
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BU of 3srr by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
6IE3
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BU of 6ie3 by Molmil
Crystal structure of methyladenine demethylase
分子名称: ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
著者Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
登録日2018-09-13
公開日2019-09-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
分子名称: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
5U1R
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BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
分子名称: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2020-08-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
分子名称: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
著者Murray, J.M.
登録日2017-05-30
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
5HY3
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BU of 5hy3 by Molmil
Crystal structure of Escherichia coli toxin LsoA in complex with T4 phage antitoxin Dmd
分子名称: Antitoxin Dmd, mRNA endoribonuclease LsoA
著者Wan, H, Gao, Z.Q, Dong, Y.H.
登録日2016-02-01
公開日2016-06-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into the inhibition mechanism of bacterial toxin LsoA by bacteriophage antitoxin Dmd
Mol.Microbiol., 101, 2016
6K15
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BU of 6k15 by Molmil
RSC substrate-recruitment module
分子名称: Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, Chromatin structure-remodeling complex protein RSC58, ...
著者Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C.
登録日2019-05-09
公開日2019-11-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
3VFT
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BU of 3vft by Molmil
crystal structure of HLA B*3508LPEP-P6Ala, peptide mutant P6-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P6A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3VRJ
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BU of 3vrj by Molmil
HLA-B*57:01-LTTKLTNTNI in complex with abacavir
分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J.
登録日2012-04-11
公開日2012-05-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
3VFR
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BU of 3vfr by Molmil
crystal structure of HLA B*3508LPEP-P4Ala, peptide mutant P4-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P4A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
7XH8
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BU of 7xh8 by Molmil
The structure of ZCB11 Fab against SARS-CoV-2 Omicron Spike
分子名称: Spike glycoprotein, The heavy chain of ZCB11 antibody, The light chain of ZCB11 antibody
著者Hang, L, Dang, S.
登録日2022-04-07
公開日2022-06-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献A broadly neutralizing antibody protects Syrian hamsters against SARS-CoV-2 Omicron challenge.
Nat Commun, 13, 2022
3VFV
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BU of 3vfv by Molmil
crystal structure of HLA B*3508 LPEP-P9Ala, peptide mutant P9-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P9A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3VFW
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BU of 3vfw by Molmil
crystal structure of HLA B*3508 LPEP-P10Ala, peptide mutant P10-ala
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, P10A, ...
著者Liu, Y.C, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
3ZP3
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BU of 3zp3 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, ...
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP1
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BU of 3zp1 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA with LSTc
分子名称: HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-2)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3SQY
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BU of 3sqy by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SR5
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BU of 3sr5 by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRW
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BU of 3srw by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011

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