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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
1PYJ
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BU of 1pyj by Molmil
Solution Structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11mer DNA duplex
Descriptor: 5'-D(*CP*CP*AP*TP*AP*TP*GP*GP*CP*CP*C)-3', 5'-D*GP*GP*GP*CP*CP*AP*TP*AP*TP*GP*G)-3'
Authors:Peterson, L.A, Vu, C, Hingerty, B.E, Broyde, S, Cosman, M.
Deposit date:2003-07-09
Release date:2004-04-20
Last modified:2014-08-06
Method:SOLUTION NMR
Cite:Solution structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11 mer DNA duplex: evidence for formation of a base triplex.
Biochemistry, 42, 2003
3PFC
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BU of 3pfc by Molmil
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ferulic acid
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, ...
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2010-10-28
Release date:2011-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3PF9
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BU of 3pf9 by Molmil
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant
Descriptor: Cinnamoyl esterase, SODIUM ION
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2010-10-28
Release date:2011-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3PF8
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BU of 3pf8 by Molmil
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536
Descriptor: Cinnamoyl esterase, SODIUM ION
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2010-10-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3PFB
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BU of 3pfb by Molmil
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ethylferulate
Descriptor: AMMONIUM ION, CHLORIDE ION, Cinnamoyl esterase, ...
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2010-10-28
Release date:2011-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3QM1
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BU of 3qm1 by Molmil
CRYSTAL STRUCTURE OF THE LACTOBACILLUS JOHNSONII CINNAMOYL ESTERASE LJ0536 S106A MUTANT IN COMPLEX WITH ETHYLFERULATE, Form II
Descriptor: CHLORIDE ION, Cinnamoyl esterase, SODIUM ION, ...
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2011-02-03
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.817 Å)
Cite:An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3S2Z
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BU of 3s2z by Molmil
Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with caffeic acid
Descriptor: CAFFEIC ACID, CHLORIDE ION, Cinnamoyl esterase
Authors:Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
Deposit date:2011-05-17
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An inserted alpha/beta subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase.
Plos One, 6, 2011
2IJM
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BU of 2ijm by Molmil
Crystal Structure of Focal Adhesion Kinase Domain with 2 molecules in the Asymmetric Unit Complexed with ADP and ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Focal Adhesion Kinase 1
Authors:Lee, C.C.
Deposit date:2006-09-29
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Crystal Structure of Focal Adhesion Kinase Catalytic Domain Complexed with ATP and Novel 7H-Pyrrolo [2,3-d] pyrimidine Inhibitor Scaffolds
To be Published
2ETM
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BU of 2etm by Molmil
Crystal Structure of Focal Adhesion Kinase Domain Complexed with 7H-Pyrrolo [2,3-d] pyrimidine Derivative
Descriptor: 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE, Focal adhesion kinase 1
Authors:Lee, C.C.
Deposit date:2005-10-27
Release date:2006-10-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Focal Adhesion Kinase Domain Complexed with ATP and novel 7H-Pyrrolo [2,3-d] pyrimidine scaffolds
To be Published

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