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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
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
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2022-02-16
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
1C9Q
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BU of 1c9q by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-2 DOMAIN OF XIAP
分子名称: APOPTOSIS INHIBITOR IAP HOMOLOG, ZINC ION
著者Meadows, R.P, Fesik, S.W.
登録日1999-08-03
公開日2000-08-09
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献NMR structure and mutagenesis of the inhibitor-of-apoptosis protein XIAP.
Nature, 401, 1999
1BXL
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BU of 1bxl by Molmil
STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: BAK PEPTIDE, BCL-XL
著者Sattler, M, Liang, H, Nettesheim, D, Meadows, R.P, Harlan, J.E, Eberstadt, M, Yoon, H, Shuker, S.B, Chang, B.S, Minn, A.J, Thompson, C.B, Fesik, S.W.
登録日1996-10-16
公開日1997-10-29
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis.
Science, 275, 1997
1DHM
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BU of 1dhm by Molmil
DNA-BINDING DOMAIN OF E2 FROM HUMAN PAPILLOMAVIRUS-31, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: E2 PROTEIN
著者Liang, H, Petros, A.P, Meadows, R.P, Yoon, H.S, Egan, D.A, Walter, K, Holzman, T.F, Robins, T, Fesik, S.W.
登録日1995-08-15
公開日1996-12-07
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA-binding domain of a human papillomavirus E2 protein: evidence for flexible DNA-binding regions.
Biochemistry, 35, 1996
5WFQ
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BU of 5wfq by Molmil
Ligand-bound Ras:SOS:Ras complex
分子名称: 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFR
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BU of 5wfr by Molmil
Ligand-bound Ras:SOS:Ras complex
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
1Q59
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BU of 1q59 by Molmil
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2022-03-02
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
4IJH
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BU of 4ijh by Molmil
Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A
分子名称: 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J.
登録日2012-12-21
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
4IJL
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BU of 4ijl by Molmil
Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A
分子名称: Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
著者Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J.
登録日2012-12-21
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
4IPC
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BU of 4ipc by Molmil
Structure of the N-terminal domain of RPA70, E7R mutant
分子名称: Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
登録日2013-01-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPD
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BU of 4ipd by Molmil
Structure of the N-terminal domain of RPA70, E100R mutant
分子名称: Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
登録日2013-01-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPG
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BU of 4ipg by Molmil
Structure of the N-terminal domain of RPA70, E7R, E100R mutant
分子名称: Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
登録日2013-01-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
4IPH
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BU of 4iph by Molmil
Structure of N-terminal domain of RPA70 in complex with VU079104 inhibitor
分子名称: Replication protein A 70 kDa DNA-binding subunit, ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
著者Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J.
登録日2013-01-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
1SSK
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BU of 1ssk by Molmil
Structure of the N-terminal RNA-binding Domain of the SARS CoV Nucleocapsid Protein
分子名称: Nucleocapsid protein
著者Huang, Q, Yu, L, Petros, A.M, Gunasekera, A, Liu, Z, Xu, N, Hajduk, P, Mack, J, Fesik, S.W, Olejniczak, E.T.
登録日2004-03-24
公開日2004-06-08
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein.
Biochemistry, 43, 2004
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
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
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
1URK
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BU of 1urk by Molmil
SOLUTION STRUCTURE OF THE AMINO TERMINAL FRAGMENT OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
分子名称: PLASMINOGEN ACTIVATOR, alpha-L-fucopyranose
著者Hansen, A.P, Petros, A.M, Meadows, R.P, Nettesheim, D.G, Mazar, A.P, Olejniczak, E.T, Xu, R.X, Pederson, T.M, Henkin, J, Fesik, S.W.
登録日1994-01-10
公開日1995-05-08
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Solution structure of the amino-terminal fragment of urokinase-type plasminogen activator.
Biochemistry, 33, 1994
4NB3
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BU of 4nb3 by Molmil
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2023-09-20
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

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