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1FBZ
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BU of 1fbz by Molmil
Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity
Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
Authors:Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T.
Deposit date:2000-07-17
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
6PD2
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BU of 6pd2 by Molmil
PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola in complex with cytidine monophosphate-AEP
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ACETATE ION, ...
Authors:Suits, M.D.L, Whiteside, J.
Deposit date:2019-06-18
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Nat Commun, 10, 2019
6PD1
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BU of 6pd1 by Molmil
PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Suits, M.D.L, Whiteside, J.
Deposit date:2019-06-18
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Nat Commun, 10, 2019
1IJR
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BU of 1ijr by Molmil
Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic
Descriptor: (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK
Authors:Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R.
Deposit date:2001-04-27
Release date:2002-05-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001

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