1EV8
 
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI | | Descriptor: | THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | Deposit date: | 2000-04-19 | | Release date: | 2000-05-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
|
|
1EVF
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI | | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | Deposit date: | 2000-04-19 | | Release date: | 2000-05-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
|
|
1EVG
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE | | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | Deposit date: | 2000-04-19 | | Release date: | 2000-05-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
|
|
1EV5
 | | CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI | | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | Deposit date: | 2000-04-19 | | Release date: | 2000-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
|
|
1QZ0
 | | Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide | | Descriptor: | ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH | | Authors: | Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S. | | Deposit date: | 2003-09-15 | | Release date: | 2003-11-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
|
|
1TTW
 | |
1LVB
 | | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | Deposit date: | 2002-05-28 | | Release date: | 2002-11-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
|
|
1ZW0
 | |
2AOA
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
|
|
2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
|
|
1HW3
 | | STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
|
|
1HVY
 | | Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ... | | Authors: | Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | Deposit date: | 2001-01-08 | | Release date: | 2001-01-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
|
|
6V9O
 | |
1HW4
 | | STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
|
|
1LVM
 | | CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT | | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | Deposit date: | 2002-05-28 | | Release date: | 2002-11-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
|
|
2P4D
 | |
6BVL
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRAS, ... | | Authors: | Phan, J, Abbott, J, Fesik, S.W. | | Deposit date: | 2017-12-13 | | Release date: | 2018-10-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
|
|
6BVM
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | (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, ... | | Authors: | Phan, J, Abbott, J, Fesik, S.W. | | Deposit date: | 2017-12-13 | | Release date: | 2018-10-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
|
|
6BVK
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | Authors: | Phan, J, Abbott, J, Fesik, S.W. | | Deposit date: | 2017-12-13 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
|
|
6BVI
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
|
|
7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
|
|
9BVF
 | | Identification of multiple ligand hotspots on SOS2, compound 6 | | Descriptor: | 4-({4-[(3S)-3-methyl-1,4-diazepan-1-yl]quinazolin-2-yl}amino)phenol, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2024-05-20 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Discovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2).
J.Med.Chem., 68, 2025
|
|
9BVE
 | | Identification of multiple ligand hotspots on SOS2, compound 9 | | Descriptor: | N-(1H-indol-5-yl)-4-[4-(propan-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine, Son of sevenless homolog 2 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2024-05-20 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2).
J.Med.Chem., 68, 2025
|
|
9BVI
 | |
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: | 2024-10-23 | | 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
|
|
