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6UHZ
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BU of 6uhz by Molmil
WDR5 in complex with Myc site fragment inhibitor
分子名称: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
著者Wang, F, Fesik, S.w.
登録日2019-09-29
公開日2020-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.258 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6D5J
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BU of 6d5j by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D59
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Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5M
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BU of 6d5m by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5L
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BU of 6d5l by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
1Q59
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Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
分子名称: Early antigen protein R
著者Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T.
登録日2003-08-06
公開日2003-09-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
J.Mol.Biol., 332, 2003
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2023-11-15
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
6D9X
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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
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
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
1BVH
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BU of 1bvh by Molmil
SOLUTION STRUCTURE OF A LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE
分子名称: ACID PHOSPHATASE
著者Logan, T.M, Zhou, M.-M, Nettesheim, D.G, Meadows, R.P, Van Etten, R.L, Fesik, S.W.
登録日1994-05-03
公開日1994-07-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a low molecular weight protein tyrosine phosphatase.
Biochemistry, 33, 1994
4LUO
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BU of 4luo by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LW1
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BU of 4lw1 by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LWC
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BU of 4lwc by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LUZ
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BU of 4luz by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4NYI
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BU of 4nyi by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
分子名称: GTPase HRas, MAGNESIUM ION, N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, ...
著者Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
登録日2013-12-10
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9612 Å)
主引用文献Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYJ
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BU of 4nyj by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
分子名称: GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide, ...
著者Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
登録日2013-12-10
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8522 Å)
主引用文献Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O0A
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BU of 4o0a by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-12-13
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56, 2013
4NB3
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Crystal structure of RPA70N in complex with a 3,4 dichlorophenylalanine ATRIP derived peptide
分子名称: 3,4 dichlorophenylalanine ATRIP derived peptide, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Vangamudi, B, Souza-Fagundes, E.M, Luzwik, J.W, Cortez, D, Olejniczak, O.T, Waterson, A.G, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-10-22
公開日2014-02-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of a Potent Stapled Helix Peptide That Binds to the 70N Domain of Replication Protein A.
J.Med.Chem., 57, 2014
4NYM
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BU of 4nym by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
分子名称: GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide, ...
著者Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
登録日2013-12-10
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5529 Å)
主引用文献Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LUV
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BU of 4luv by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
1A1W
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BU of 1a1w by Molmil
FADD DEATH EFFECTOR DOMAIN, F25Y MUTANT, NMR MINIMIZED AVERAGE STRUCTURE
分子名称: FADD PROTEIN
著者Eberstadt, M, Huang, B, Chen, Z, Meadows, R.P, Ng, C, Fesik, S.W.
登録日1997-12-18
公開日1998-12-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
1BC9
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BU of 1bc9 by Molmil
CYTOHESIN-1/B2-1 SEC7 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CYTOHESIN-1
著者Betz, S.F, Schnuchel, A, Wang, H, Olejniczak, E.T, Meadows, R.P, Fesik, S.W.
登録日1998-05-06
公開日1999-05-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the cytohesin-1 (B2-1) Sec7 domain and its interaction with the GTPase ADP ribosylation factor 1.
Proc.Natl.Acad.Sci.USA, 95, 1998

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