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1FLI
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BU of 1fli by Molmil
DNA-BINDING DOMAIN OF FLI-1
分子名称: FLI-1
著者Liang, H, Mao, X, Olejniczak, E.T, Nettesheim, D.G, Yu, L, Meadows, R.P, Thompson, C.B, Fesik, S.W.
登録日1994-09-15
公開日1995-09-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of the ets domain of Fli-1 when bound to DNA.
Nat.Struct.Biol., 1, 1994
1YUB
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BU of 1yub by Molmil
SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: RRNA METHYLTRANSFERASE
著者Yu, L, Petros, A.M, Schnuchel, A, Zhong, P, Severin, J.M, Walter, K, Holzman, T.F, Fesik, S.W.
登録日1997-03-04
公開日1998-03-04
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
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2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of a low molecular weight protein tyrosine phosphatase.
Biochemistry, 33, 1994
1TFT
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BU of 1tft by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
分子名称: 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
著者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.
登録日2004-05-27
公開日2005-05-03
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.
J.Med.Chem., 47, 2004
1TFQ
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BU of 1tfq by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
分子名称: Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION
著者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, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W.
登録日2004-05-27
公開日2004-09-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer.
J.Med.Chem., 47, 2004
1ONZ
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BU of 1onz by Molmil
Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b
分子名称: 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R.
登録日2003-03-02
公開日2003-05-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1PLS
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BU of 1pls by Molmil
SOLUTION STRUCTURE OF A PLECKSTRIN HOMOLOGY DOMAIN
分子名称: PLECKSTRIN HOMOLOGY DOMAIN
著者Yoon, H.S, Hajduk, P.J, Petros, A.M, Olejniczak, E.T, Meadows, R.P, Fesik, S.W.
登録日1994-05-03
公開日1995-06-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of a pleckstrin-homology domain.
Nature, 369, 1994
1SHC
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BU of 1shc by Molmil
SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: SHC, TRKA RECEPTOR PHOSPHOPEPTIDE
著者Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W.
登録日1996-03-27
公開日1997-05-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
6BVL
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BU of 6bvl by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: FORMIC ACID, GLYCEROL, GTPase HRAS, ...
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 (1.748 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
6BVM
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BU of 6bvm by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, 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 (1.796 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
6BVK
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BU of 6bvk by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: FORMIC ACID, GLYCEROL, GTPase HRas, ...
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2019-05-01
実験手法X-RAY DIFFRACTION (1.799 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
6BVI
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BU of 6bvi by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-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 (1.746 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
4EPY
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BU of 4epy by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPR
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BU of 4epr by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPW
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BU of 4epw by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPV
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BU of 4epv by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: 2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPT
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BU of 4ept by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: (2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPX
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BU of 4epx by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
1K3K
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BU of 1k3k by Molmil
Solution Structure of a Bcl-2 Homolog from Kaposi's Sarcoma Virus
分子名称: functional anti-apoptotic factor vBCL-2 homolog
著者Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T.
登録日2001-10-03
公開日2002-04-10
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
1NL9
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BU of 1nl9 by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy
分子名称: 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NO6
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BU of 1no6 by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy
分子名称: 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-15
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NNY
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BU of 1nny by Molmil
Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy
分子名称: 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-14
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1F9X
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AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-3 DOMAIN OF XIAP
分子名称: INHIBITOR OF APOPTOSIS PROTEIN XIAP, ZINC ION
著者Sun, C, Cai, M, Meadows, R.P, Fesik, S.W.
登録日2000-07-11
公開日2001-07-11
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP.
J.Biol.Chem., 275, 2000
1G3F
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BU of 1g3f by Molmil
NMR STRUCTURE OF A 9 RESIDUE PEPTIDE FROM SMAC/DIABLO COMPLEXED TO THE BIR3 DOMAIN OF XIAP
分子名称: INHIBITOR OF APOPTOSIS PROTEIN 3, SMAC, ZINC ION
著者Liu, Z, Sun, C, Olejniczak, E.T, Meadows, R.P, Betz, S.F, Oost, T, Herrmann, J, Wu, J.C, Fesik, S.W.
登録日2000-10-24
公開日2001-01-10
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain.
Nature, 408, 2000
1G5J
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COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD
分子名称: APOPTOSIS REGULATOR BCL-X, BAD PROTEIN
著者Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W.
登録日2000-11-01
公開日2001-02-07
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies.
Protein Sci., 9, 2000

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