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6ARV
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BU of 6arv by Molmil
Crystal structure of CARM1 with Compound 2 and SAH
Descriptor: (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2017-08-23
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
3FFI
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BU of 3ffi by Molmil
HIV-1 RT with pyridone non-nucleoside inhibitor
Descriptor: 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-12-03
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
To be Published
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
1JWD
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BU of 1jwd by Molmil
Ca2+-induced Structural Changes in Calcyclin: High-resolution Solution Structure of Ca2+-bound Calcyclin.
Descriptor: Calcyclin
Authors:Maler, L, Sastry, M, Chazin, W.J.
Deposit date:2001-09-04
Release date:2002-03-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A structural basis for S100 protein specificity derived from comparative analysis of apo and Ca(2+)-calcyclin
J.Mol.Biol., 317, 2002
1NJ4
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BU of 1nj4 by Molmil
Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 1.9 A resolution
Descriptor: Penicillin-binding protein 5
Authors:Nicola, G, Nicholas, R.A, Davies, C.
Deposit date:2002-12-30
Release date:2003-01-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex.
J.Biol.Chem., 278, 2003
7MRX
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BU of 7mrx by Molmil
Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/C82A
Descriptor: Barstar, Ribonuclease
Authors:Caro, J.A, Smith, J, Wand, A.J.
Deposit date:2021-05-10
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Conformational entropy and protein affinity
To Be Published
1HD8
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BU of 1hd8 by Molmil
Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 2.3 A resolution
Descriptor: PENICILLIN-BINDING PROTEIN 5
Authors:Davies, C, White, S.W, Nicholas, R.A.
Deposit date:2000-11-11
Release date:2001-11-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Deacylation-Defective Mutant of Penicillin-Binding Protein 5 at 2.3-A Resolution
J.Biol.Chem., 276, 2001
1A03
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BU of 1a03 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES
Descriptor: CALCYCLIN (RABBIT, CA2+)
Authors:Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J.
Deposit date:1997-12-08
Release date:1999-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins.
Structure, 6, 1998

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