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5AMN
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BU of 5amn by Molmil
The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors
分子名称: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J.
登録日2015-03-11
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
2JJ0
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BU of 2jj0 by Molmil
PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M248 REPLACED WITH TRP (CHAIN M, AM248W)
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Fyfe, P.K, Potter, J.A, Cheng, J, Williams, C.M, Watson, A.J, Jones, M.R.
登録日2007-07-03
公開日2007-09-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Responses to Cavity-Creating Mutations in an Integral Membrane Protein.
Biochemistry, 46, 2007
2JIY
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BU of 2jiy by Molmil
PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M149 REPLACED WITH TRP (CHAIN M, AM149W)
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Fyfe, P.K, Potter, J.A, Cheng, J, Williams, C.M, Watson, A.J, Jones, M.R.
登録日2007-07-03
公開日2007-09-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Responses to Cavity-Creating Mutations in an Integral Membrane Protein.
Biochemistry, 46, 2007
5KZE
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BU of 5kze by Molmil
N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus
分子名称: GLYCEROL, N-acetylneuraminate lyase, SULFATE ION
著者North, R.A, Watson, A.J.A, Pearce, F.G, Muscroft-Taylor, A.C, Friemann, R, Fairbanks, A.J, Dobson, R.C.J.
登録日2016-07-25
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
FEBS Lett., 590, 2016
5KZD
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BU of 5kzd by Molmil
N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus with bound sialic acid alditol
分子名称: (2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid, N-acetylneuraminate lyase
著者North, R.A, Watson, A.J.A, Pearce, F.G, Muscroft-Taylor, A.C, Friemann, R, Fairbanks, A.J, Dobson, R.C.J.
登録日2016-07-25
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
FEBS Lett., 590, 2016
5M0D
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BU of 5m0d by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0E
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BU of 5m0e by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0M
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BU of 5m0m by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-05
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0S
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BU of 5m0s by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-05
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
4NY9
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BU of 4ny9 by Molmil
Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2013-12-10
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J.Med.Chem., 57, 2014
4HDV
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BU of 4hdv by Molmil
Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2,6-diaminopurine
分子名称: 5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3', 5'-D(*GP*CP*CP*AP*TP*GP*(1AP)P*CP*TP*AP*GP*TP*A)-3', Alkyltransferase-like protein 1
著者Tubbs, J.L, Tainer, J.A.
登録日2012-10-02
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HDU
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BU of 4hdu by Molmil
Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine
分子名称: 5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3', 5'-D(*GP*CP*CP*AP*TP*GP*(2PR)P*CP*TP*AP*GP*TP*A)-3', Alkyltransferase-like protein 1
著者Tubbs, J.L, Tainer, J.A.
登録日2012-10-02
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions.
Proc.Natl.Acad.Sci.USA, 109, 2012
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
分子名称: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
登録日2016-08-17
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
3GX4
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BU of 3gx4 by Molmil
Crystal Structure Analysis of S. Pombe ATL in complex with DNA
分子名称: Alkyltransferase-like protein 1, COBALT HEXAMMINE(III), DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ...
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2009-04-01
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009
3GYH
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BU of 3gyh by Molmil
Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB
分子名称: 1-PYRIDIN-3-YLBUTAN-1-ONE, Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ...
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A, Shin, D.S.
登録日2009-04-03
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009
4ENJ
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BU of 4enj by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-hydroxyethylguanine
分子名称: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(EHG)P*CP*TP*AP*GP*TP*A)-3')
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2012-04-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.0989 Å)
主引用文献Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENM
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BU of 4enm by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine
分子名称: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(BZG)P*CP*TP*AP*GP*TP*A)-3')
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2012-04-13
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8402 Å)
主引用文献Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENK
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BU of 4enk by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-propylguanine
分子名称: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6PO)P*CP*TP*AP*GP*TP*A)-3')
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2012-04-13
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.0445 Å)
主引用文献Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENN
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BU of 4enn by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-carboxymethylguanine
分子名称: Alkyltransferase-like protein 1, RNA (5'-R(*GP*CP*CP*AP*TP*GP*(C6G)P*CP*TP*AP*GP*TP*A)-3')
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2012-04-13
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8448 Å)
主引用文献Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
3GVA
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BU of 3gva by Molmil
Crystal Structure Analysis of S. Pombe ATL
分子名称: Alkyltransferase-like protein 1
著者Tubbs, J.L, Arvai, A.S, Tainer, J.A.
登録日2009-03-30
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009

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