6V9O
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6V9L
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1ONY
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![BU of 1ony by Molmil](/molmil-images/mine/1ony) | Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17 | Descriptor: | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | 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. | Deposit date: | 2003-03-02 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic
Acids as Inhibitors of Protein Tyrosine Phosphatase 1B J.Med.Chem., 46, 2003
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1ONZ
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![BU of 1onz by Molmil](/molmil-images/mine/1onz) | Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b | Descriptor: | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | 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. | Deposit date: | 2003-03-02 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic
Acids as Inhibitors of Protein Tyrosine Phosphatase 1B J.Med.Chem., 46, 2003
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1PLS
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![BU of 1pls by Molmil](/molmil-images/mine/1pls) | SOLUTION STRUCTURE OF A PLECKSTRIN HOMOLOGY DOMAIN | Descriptor: | PLECKSTRIN HOMOLOGY DOMAIN | Authors: | Yoon, H.S, Hajduk, P.J, Petros, A.M, Olejniczak, E.T, Meadows, R.P, Fesik, S.W. | Deposit date: | 1994-05-03 | Release date: | 1995-06-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a pleckstrin-homology domain. Nature, 369, 1994
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5WFO
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![BU of 5wfo by Molmil](/molmil-images/mine/5wfo) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | 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 (1.99 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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5WFR
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![BU of 5wfr by Molmil](/molmil-images/mine/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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5WFQ
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![BU of 5wfq by Molmil](/molmil-images/mine/5wfq) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | 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 (2.26 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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5WFP
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![BU of 5wfp by Molmil](/molmil-images/mine/5wfp) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | 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 (2.08 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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6BVJ
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![BU of 6bvj by Molmil](/molmil-images/mine/6bvj) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Abbott, J, Fesik, S.W. | Deposit date: | 2017-12-13 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J. Med. Chem., 61, 2018
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1FLI
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![BU of 1fli by Molmil](/molmil-images/mine/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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1BVH
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![BU of 1bvh by Molmil](/molmil-images/mine/1bvh) | SOLUTION STRUCTURE OF A LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE | Descriptor: | ACID PHOSPHATASE | Authors: | Logan, T.M, Zhou, M.-M, Nettesheim, D.G, Meadows, R.P, Van Etten, R.L, Fesik, S.W. | Deposit date: | 1994-05-03 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a low molecular weight protein tyrosine phosphatase. Biochemistry, 33, 1994
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4NYJ
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![BU of 4nyj by Molmil](/molmil-images/mine/4nyj) | Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange | Descriptor: | GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide, ... | Authors: | Burns, M.C, Sun, Q, Phan, J, Fesik, S.W. | Deposit date: | 2013-12-10 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8522 Å) | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NYI
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![BU of 4nyi by Molmil](/molmil-images/mine/4nyi) | Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange | Descriptor: | GTPase HRas, MAGNESIUM ION, N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, ... | Authors: | Burns, M.C, Sun, Q, Phan, J, Fesik, S.W. | Deposit date: | 2013-12-10 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9612 Å) | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NYM
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![BU of 4nym by Molmil](/molmil-images/mine/4nym) | Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange | Descriptor: | GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide, ... | Authors: | Burns, M.C, Sun, Q, Phan, J, Fesik, S.W. | Deposit date: | 2013-12-10 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5529 Å) | Cite: | Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NB3
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![BU of 4nb3 by Molmil](/molmil-images/mine/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: | 2024-07-10 | 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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1NO6
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![BU of 1no6 by Molmil](/molmil-images/mine/1no6) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | 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. | Deposit date: | 2003-01-15 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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1NNY
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![BU of 1nny by Molmil](/molmil-images/mine/1nny) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2003-01-14 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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4O0A
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![BU of 4o0a by Molmil](/molmil-images/mine/4o0a) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2013-12-13 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J. Med. Chem., 56, 2013
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | 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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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 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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4Q01
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![BU of 4q01 by Molmil](/molmil-images/mine/4q01) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | 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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1NL9
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![BU of 1nl9 by Molmil](/molmil-images/mine/1nl9) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy | Descriptor: | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | 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. | Deposit date: | 2003-01-06 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Selective Protein Tyrosine
Phosphatase 1B Inhibitor Using a
Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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4PZZ
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![BU of 4pzz by Molmil](/molmil-images/mine/4pzz) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | 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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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | 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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