1EV5
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![BU of 1ev5 by Molmil](/molmil-images/mine/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: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding. Biochemistry, 39, 2000
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1EVG
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![BU of 1evg by Molmil](/molmil-images/mine/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: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding. Biochemistry, 39, 2000
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6V9O
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1HW4
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![BU of 1hw4 by Molmil](/molmil-images/mine/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: | 2022-04-13 | 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
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1HW3
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![BU of 1hw3 by Molmil](/molmil-images/mine/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: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors. J.Biol.Chem., 276, 2001
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1HVY
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![BU of 1hvy by Molmil](/molmil-images/mine/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
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4TZ8
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![BU of 4tz8 by Molmil](/molmil-images/mine/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
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![BU of 4tz2 by Molmil](/molmil-images/mine/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
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![BU of 4tyl by Molmil](/molmil-images/mine/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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6GJ6
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![BU of 6gj6 by Molmil](/molmil-images/mine/6gj6) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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4Y7R
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![BU of 4y7r by Molmil](/molmil-images/mine/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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1ORY
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![BU of 1ory by Molmil](/molmil-images/mine/1ory) | FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-17 | Release date: | 2003-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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1QQQ
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![BU of 1qqq by Molmil](/molmil-images/mine/1qqq) | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | Deposit date: | 1999-06-07 | Release date: | 1999-06-14 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254. Mol.Pharmacol., 57, 2000
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1ORJ
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![BU of 1orj by Molmil](/molmil-images/mine/1orj) | FLAGELLAR EXPORT CHAPERONE | Descriptor: | flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-13 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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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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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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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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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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3JZP
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3JZO
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![BU of 3jzo by Molmil](/molmil-images/mine/3jzo) | Human MDMX liganded with a 12mer peptide (pDI) | Descriptor: | POTASSIUM ION, Protein Mdm4, pDI peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-23 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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3JZR
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3JZS
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![BU of 3jzs by Molmil](/molmil-images/mine/3jzs) | Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ) | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer) | Authors: | Schonbrunn, E, Phan, J. | Deposit date: | 2009-09-24 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
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3JZQ
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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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