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PDB: 87 件

6E1Y
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Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
1EVF
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EV8
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
分子名称: THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EV5
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CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVG
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
3JZS
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Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZO
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Human MDMX liganded with a 12mer peptide (pDI)
分子名称: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
5WFR
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Ligand-bound Ras:SOS:Ras complex
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
6GJ6
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CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
4TZ8
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Structure of human ATAD2 bromodomain bound to fragment inhibitor
分子名称: 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, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-09
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4TZ2
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Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 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, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-09
公開日2014-10-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4TYL
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Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-08
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
1QQQ
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CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
登録日1999-06-07
公開日1999-06-14
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
4Y7R
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Crystal structure of WDR5 in complex with MYC MbIIIb peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
著者Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
登録日2015-02-16
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
1ORY
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FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER
分子名称: Flagellin, PHOSPHATE ION, flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-17
公開日2003-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
1ORJ
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FLAGELLAR EXPORT CHAPERONE
分子名称: flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-13
公開日2003-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
5WFO
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Ligand-bound Ras:SOS:Ras complex
分子名称: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFQ
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Ligand-bound Ras:SOS:Ras complex
分子名称: 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFP
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Ligand-bound Ras:SOS:Ras complex
分子名称: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
著者Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
登録日2017-07-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
3JZR
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Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZQ
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Human MDMX liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZP
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Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
4NYI
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Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
分子名称: GTPase HRas, MAGNESIUM ION, N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, ...
著者Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
登録日2013-12-10
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9612 Å)
主引用文献Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Q03
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Second-site screening of K-Ras in the presence of covalently attached first-site ligands
分子名称: 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
登録日2014-03-31
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献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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