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6D9X
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BU of 6d9x by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-04-30
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAR
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BU of 6dar by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAS
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BU of 6das by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAK
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BU of 6dak by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAI
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BU of 6dai by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6BVJ
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BU of 6bvj by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Abbott, J, Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
3JZS
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BU of 3jzs by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZO
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BU of 3jzo by Molmil
Human MDMX liganded with a 12mer peptide (pDI)
分子名称: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
4TYL
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BU of 4tyl by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-08
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4TZ2
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BU of 4tz2 by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-09
公開日2014-10-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
1QQQ
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BU of 1qqq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
登録日1999-06-07
公開日1999-06-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
6GJ6
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BU of 6gj6 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
著者Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
登録日2015-02-16
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
1ORJ
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BU of 1orj by Molmil
FLAGELLAR EXPORT CHAPERONE
分子名称: flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-13
公開日2003-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
1ORY
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BU of 1ory by Molmil
FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER
分子名称: Flagellin, PHOSPHATE ION, flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-17
公開日2003-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
4PZY
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BU of 4pzy by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q01
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BU of 4q01 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4PZZ
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BU of 4pzz by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q02
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BU of 4q02 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014

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