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7WVF
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ectoTLR3-mAb12-poly(I:C) complex
分子名称: RNA (46-MER), Toll-like receptor 3, mAb12
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-10
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7WVJ
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BU of 7wvj by Molmil
NT-mut(K117D,K139D,K145D) TLR3 -poly I:C complex
分子名称: RNA (46-MER), Toll-like receptor 3
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-10
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7WV5
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BU of 7wv5 by Molmil
ectoTLR3-poly(I:C)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (46-MER), ...
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-09
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7WV4
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ectoTLR3-poly(I:C) cluster
分子名称: RNA (80-MER), Toll-like receptor 3
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-09
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7WVE
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BU of 7wve by Molmil
CT-mut (D523K,D524K,E527K) TLR3-poly(I:C) complex
分子名称: RNA (46-MER), Toll-like receptor 3
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-10
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7WV3
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Toll-like receptor3 linear cluster
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (80-MER), ...
著者Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O.
登録日2022-02-09
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
7UJ4
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BU of 7uj4 by Molmil
Inhibition of Human Menin by SNDX-5613
分子名称: 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION
著者McKeever, B.M, Kulkarni, S, McGeehan, G.M.
登録日2022-03-30
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
8E90
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Inhibition of Human Menin by SNDX-5613
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ...
著者McKeever, B.M, KULKARNI, S, McGeehan, G.M.
登録日2022-08-26
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
6PKC
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BU of 6pkc by Molmil
Inhibition of Human Menin by VTP-50469
分子名称: 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide, Menin,Menin
著者McKeever, B.M, Chen, G, Van Orton, R.
登録日2019-06-29
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Menin-MLL Inhibitor Induces Specific Chromatin Changes and Eradicates Disease in Models of MLL-Rearranged Leukemia.
Cancer Cell, 36, 2019
3KM4
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BU of 3km4 by Molmil
Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors
分子名称: (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Z, McKeever, B.M.
登録日2009-11-09
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of orally bioavailable alkyl amine renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
3GW5
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BU of 3gw5 by Molmil
Crystal structure of human renin complexed with a novel inhibitor
分子名称: (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, Z, McKeever, B.M.
登録日2009-03-31
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
3Q3T
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BU of 3q3t by Molmil
Alkyl Amine Renin Inhibitors: Filling S1 from S3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Wu, Z, McKeever, B.
登録日2010-12-22
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket.
Bioorg.Med.Chem.Lett., 21, 2011
3Q4B
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Clinically Useful Alkyl Amine Renin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ...
著者Wu, Z, McKeever, B.M.
登録日2010-12-23
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
3Q5H
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BU of 3q5h by Molmil
Clinically Useful Alkyl Amine Renin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ...
著者Wu, Z, McKeever, B.M.
登録日2010-12-28
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
1W9N
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BU of 1w9n by Molmil
Isolation and characterization of epilancin 15X, a novel antibiotic from a clinical strain of Staphylococcus epidermidis
分子名称: EPILANCIN 15X
著者Ekkelenkamp, M, Hanssen, M.G.M, Hsu, S.-T.D, de Jong, A, Milatovic, D, Verhoef, J, van Nuland, N.A.J.
登録日2004-10-14
公開日2005-04-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Isolation and structural characterization of epilancin 15X, a novel lantibiotic from a clinical strain of Staphylococcus epidermidis.
FEBS Lett., 579, 2005

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