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PDB: 38 results

4EPR
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BU of 4epr by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
1G3F
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BU of 1g3f by Molmil
NMR STRUCTURE OF A 9 RESIDUE PEPTIDE FROM SMAC/DIABLO COMPLEXED TO THE BIR3 DOMAIN OF XIAP
Descriptor: INHIBITOR OF APOPTOSIS PROTEIN 3, SMAC, ZINC ION
Authors:Liu, Z, Sun, C, Olejniczak, E.T, Meadows, R.P, Betz, S.F, Oost, T, Herrmann, J, Wu, J.C, Fesik, S.W.
Deposit date:2000-10-24
Release date:2001-01-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain.
Nature, 408, 2000
4PZY
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BU of 4pzy by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
1Q3T
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BU of 1q3t by Molmil
Solution structure and function of an essential CMP kinase of Streptococcus pneumoniae
Descriptor: Cytidylate kinase
Authors:Yu, L, Mack, J, Hajduk, P.J, Kakavas, S.J, Saiki, A.Y, Lerner, C.G, Olejniczak, E.T.
Deposit date:2003-07-31
Release date:2004-08-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and function of an essential CMP kinase of Streptococcus pneumoniae
Protein Sci., 12, 2003
4Q01
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BU of 4q01 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4PZZ
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BU of 4pzz by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q02
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BU of 4q02 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
1SSK
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BU of 1ssk by Molmil
Structure of the N-terminal RNA-binding Domain of the SARS CoV Nucleocapsid Protein
Descriptor: Nucleocapsid protein
Authors:Huang, Q, Yu, L, Petros, A.M, Gunasekera, A, Liu, Z, Xu, N, Hajduk, P, Mack, J, Fesik, S.W, Olejniczak, E.T.
Deposit date:2004-03-24
Release date:2004-06-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein.
Biochemistry, 43, 2004
1Q59
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BU of 1q59 by Molmil
Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
Descriptor: Early antigen protein R
Authors:Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T.
Deposit date:2003-08-06
Release date:2003-09-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the BHRF1 Protein From Epstein-Barr Virus, a Homolog of Human Bcl-2
J.Mol.Biol., 332, 2003
1TFT
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BU of 1tft by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
Descriptor: 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A.K, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W.
Deposit date:2004-05-27
Release date:2005-05-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.
J.Med.Chem., 47, 2004
4Q03
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BU of 4q03 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
1TFQ
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BU of 1tfq by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
Descriptor: Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION
Authors:Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W.
Deposit date:2004-05-27
Release date:2004-09-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer.
J.Med.Chem., 47, 2004
4O0A
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BU of 4o0a by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
Descriptor: 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
Deposit date:2013-12-13
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56, 2013
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