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2FDP
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BU of 2fdp by Molmil
Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor
分子名称: Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
著者Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D.
登録日2005-12-14
公開日2006-01-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
1F4D
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BU of 1f4d by Molmil
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
1F4F
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BU of 1f4f by Molmil
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
1F4B
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BU of 1f4b by Molmil
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
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
1F4G
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BU of 1f4g by Molmil
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
1F4C
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BU of 1f4c by Molmil
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
8DP7
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BU of 8dp7 by Molmil
Structure of Helicobacter pylori EgtU bound to EGT
分子名称: Osmoprotection protein, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
著者Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
登録日2022-07-15
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
8DP6
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BU of 8dp6 by Molmil
Crystal structure of Helicobacter pylori EgtU
分子名称: Osmoprotection protein, SULFATE ION
著者Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
登録日2022-07-15
公開日2022-11-09
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
1NMS
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BU of 1nms by Molmil
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
1NME
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BU of 1nme by Molmil
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
1NMQ
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BU of 1nmq by Molmil
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

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