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PDB: 17 件
1NWE
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Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
分子名称: N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S.K.
登録日2003-02-06
公開日2003-05-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
J.Am.Chem.Soc., 125, 2003
1NME
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Structure of Casp-3 with tethered salicylate
分子名称: 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-09
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMS
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Caspase-3 tethered to irreversible inhibitor
分子名称: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMQ
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Extendend Tethering: In Situ Assembly of Inhibitors
分子名称: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NWL
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Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic
分子名称: 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID, MAGNESIUM ION, protein-tyrosine phosphatase, ...
著者Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S.
登録日2003-02-06
公開日2003-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
J.Am.Chem.Soc., 125, 2003
1F4F
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722
分子名称: 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4G
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876
分子名称: GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4B
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
分子名称: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4C
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4E
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BU of 1f4e by Molmil
CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE
分子名称: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4D
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
3PWY
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BU of 3pwy by Molmil
Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2
分子名称: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
著者Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J.
登録日2010-12-09
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
1T48
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-28
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
3DJ6
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BU of 3dj6 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823.
分子名称: 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6
著者Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献New fragment-based drug discovery
To be Published
3DJ7
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Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130.
分子名称: 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献New fragment-based drug discovery
To be Published
3DJ5
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Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290.
分子名称: 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6
著者Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New fragment-based drug discovery
To be Published
1CW9
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DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE
分子名称: 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION
著者van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L.
登録日1999-08-26
公開日1999-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A structural snapshot of base-pair opening in DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999

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