1CYB
 
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1CYA
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5WFR
 | | Ligand-bound Ras:SOS:Ras complex | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
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1LXL
 | | NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BCL-XL | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-04 | | Release date: | 1997-04-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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1MAZ
 | | X-RAY STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH | | Descriptor: | Bcl-2-like protein 1 | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-09 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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4NB3
 | | Crystal structure of RPA70N in complex with a 3,4 dichlorophenylalanine ATRIP derived peptide | | Descriptor: | 3,4 dichlorophenylalanine ATRIP derived peptide, Replication protein A 70 kDa DNA-binding subunit | | Authors: | 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. | | Deposit date: | 2013-10-22 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of a Potent Stapled Helix Peptide That Binds to the 70N Domain of Replication Protein A.
J.Med.Chem., 57, 2014
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8UJY
 | | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | | Descriptor: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | | Authors: | Zhao, B, Amporndanai, K, Fesik, S.W. | | Deposit date: | 2023-10-11 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
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4EPX
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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1F9X
 | | AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-3 DOMAIN OF XIAP | | Descriptor: | INHIBITOR OF APOPTOSIS PROTEIN XIAP, ZINC ION | | Authors: | Sun, C, Cai, M, Meadows, R.P, Fesik, S.W. | | Deposit date: | 2000-07-11 | | Release date: | 2001-07-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP.
J.Biol.Chem., 275, 2000
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8E9F
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6DY7
 | | WDR5 in complex with a WIN site inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ... | | Authors: | Phan, J, Wang, F, Fesik, S.W. | | Deposit date: | 2018-07-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
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6E1Y
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6DYA
 | | WDR5 in complex with a WIN site inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ... | | Authors: | Phan, J, Wang, F, Fesik, S.W. | | Deposit date: | 2018-07-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
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6E1Z
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6E23
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6E22
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6D5L
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5M
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.081 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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4TZ8
 | | Structure of human ATAD2 bromodomain bound to fragment inhibitor | | Descriptor: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | | Deposit date: | 2014-07-09 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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4TZ2
 | | Fragment-Based Screening of the Bromodomain of ATAD2 | | Descriptor: | 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, ... | | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | | Deposit date: | 2014-07-09 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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4TYL
 | | Fragment-Based Screening of the Bromodomain of ATAD2 | | Descriptor: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | | Deposit date: | 2014-07-08 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
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5E7N
 | | Crystal Structure of RPA70N in complex with VU0085636 | | Descriptor: | 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2015-10-12 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
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1FLI
 | | DNA-BINDING DOMAIN OF FLI-1 | | Descriptor: | FLI-1 | | Authors: | Liang, H, Mao, X, Olejniczak, E.T, Nettesheim, D.G, Yu, L, Meadows, R.P, Thompson, C.B, Fesik, S.W. | | Deposit date: | 1994-09-15 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the ets domain of Fli-1 when bound to DNA.
Nat.Struct.Biol., 1, 1994
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4Y7R
 | | Crystal structure of WDR5 in complex with MYC MbIIIb peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ... | | Authors: | Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P. | | Deposit date: | 2015-02-16 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
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1TFT
 | | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP | | Descriptor: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A.K, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W. | | Deposit date: | 2004-05-27 | | Release date: | 2005-05-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.
J.Med.Chem., 47, 2004
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