Author results

1G5J
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COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD
Descriptor:APOPTOSIS REGULATOR BCL-X, BAD PROTEIN
Authors:Petros, A.M., Nettesheim, D.G., Wang, Y., Olejniczak, E.T., Meadows, R.P., Mack, J., Swift, K., Matayoshi, E.D., Zhang, H., Thompson, C.B., Fesik, S.W.
Deposit date:2000-11-01
Release date:2001-02-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies.
Protein Sci., 9, 2000
1G5M
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HUMAN BCL-2, ISOFORM 1
Descriptor:PROTEIN (APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE FLEXIBLE LOOP REPLACED WITH A PORTION OF APOPTOSIS REGULATOR BCL-X PROTEIN)
Authors:Petros, A.M., Medek, A., Nettesheim, D.G., Kim, D.H., Yoon, H.S., Swift, K., Matayoshi, E.D., Oltersdorf, T., Fesik, S.W.
Deposit date:2000-11-01
Release date:2001-03-21
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the antiapoptotic protein bcl-2.
Proc.Natl.Acad.Sci.USA, 98, 2001
1GJH
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HUMAN BCL-2, ISOFORM 2
Descriptor:PROTEIN (APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE FLEXIBLE LOOP REPLACED WITH A PORTION OF APOPTOSIS REGULATOR BCL-X PROTEIN)
Authors:Petros, A.M., Medek, A., Nettesheim, D.G., Kim, D.H., Yoon, H.S., Swift, K., Matayoshi, E.D., Oltersdorf, T., Fesik, S.W.
Deposit date:2001-05-31
Release date:2001-06-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the antiapoptotic protein bcl-2.
Proc.Natl.Acad.Sci.USA, 98, 2001
4OQ5
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CRYSTAL STRUCTURE OF HUMAN MCL-1 BOUND TO INHIBITOR 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL)SULFONYL]AMINO}BENZOIC ACID
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
Authors:Petros, A.M., Swann, S.L., Song, D., Swinger, K., Park, C., Zhang, H., Wendt, M.D., Kunzer, A.R., Souers, A.J., Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4OQ6
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CRYSTAL STRUCTURE OF HUMAN MCL-1 BOUND TO INHIBITOR 4-HYDROXY-4'-PROPYLBIPHENYL-3-CARBOXYLIC ACID
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Authors:Petros, A.M., Swann, S.L., Song, D., Swinger, K., Park, C., Zhang, H., Wendt, M.D., Kunzer, A.R., Souers, A.J., Sun, C.
Deposit date:2014-02-07
Release date:2014-03-12
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
1YUB
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SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:RRNA METHYLTRANSFERASE
Authors:Yu, L., Petros, A.M., Schnuchel, A., Zhong, P., Severin, J.M., Walter, K., Holzman, T.F., Fesik, S.W.
Deposit date:1997-03-04
Release date:1998-03-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
1K3K
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SOLUTION STRUCTURE OF A BCL-2 HOMOLOG FROM KAPOSI'S SARCOMA VIRUS
Descriptor:functional anti-apoptotic factor vBCL-2 homolog
Authors:Huang, Q., Petros, A.M., Virgin, H.W., Fesik, S.W., Olejniczak, E.T.
Deposit date:2001-10-03
Release date:2002-04-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
1PLS
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SOLUTION STRUCTURE OF A PLECKSTRIN HOMOLOGY DOMAIN
Descriptor:PLECKSTRIN HOMOLOGY DOMAIN
Authors:Yoon, H.S., Hajduk, P.J., Petros, A.M., Olejniczak, E.T., Meadows, R.P., Fesik, S.W.
Deposit date:1994-05-03
Release date:1995-06-03
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of a pleckstrin-homology domain.
Nature, 369, 1994
1Q59
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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:2011-07-13
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
1SHC
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SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:SHC, TRKA RECEPTOR PHOSPHOPEPTIDE
Authors:Zhou, M.-M., Ravichandran, K.S., Olejniczak, E.T., Petros, A.M., Meadows, R.P., Sattler, M., Harlan, J.E., Wade, W.S., Burakoff, S.J., Fesik, S.W.
Deposit date:1996-03-27
Release date:1997-05-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
1SSK
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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:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein.
Biochemistry, 43, 2004
1URK
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SOLUTION STRUCTURE OF THE AMINO TERMINAL FRAGMENT OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Descriptor:PLASMINOGEN ACTIVATOR, ALPHA-L-FUCOSE
Authors:Hansen, A.P., Petros, A.M., Meadows, R.P., Nettesheim, D.G., Mazar, A.P., Olejniczak, E.T., Xu, R.X., Pederson, T.M., Henkin, J., Fesik, S.W.
Deposit date:1994-01-10
Release date:1995-05-08
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the amino-terminal fragment of urokinase-type plasminogen activator.
Biochemistry, 33, 1994
1YSG
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH "SAR BY NMR" LIGANDS
Descriptor:Apoptosis regulator Bcl-X, 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSW
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
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SOLUTION STRUCTURE OF DOMAIN 3 FROM HUMAN SERUM ALBUMIN COMPLEXED TO AN ANTI-APOPTOTIC LIGAND DIRECTED AGAINST BCL-XL AND BCL-2
Descriptor:Serum albumin, 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
2ABO
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NMR STRUCTURE OF GAMMA HERPESVIRUS 68 A VIRAL BCL-2 HOMOLOG
Descriptor:bcl-2 homolog
Authors:Loh, J., Huang, Q., Petros, A.M., Nettesheim, D., van Dyk, L.F., Labrada, L., Speck, S.H., Levine, B., Olejniczak, E.T., Virgin, H.W.
Deposit date:2005-07-15
Release date:2006-05-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A surface groove essential for viral Bcl-2 function during chronic infection in vivo.
Plos Pathog., 1, 2005
2O1Y
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O21
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O22
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2F
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-29
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2M
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2N
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Authors:Bruncko, M., Oost, T.K., Belli, B.A., Ding, H., Joseph, M.K., Kunzer, A., Martineau, D., McClellan, W.J., Mitten, M., Ng, S.C., Nimmer, P.M., Oltersdorf, T., Park, C.M., Petros, A.M., Shoemaker, A.R., Song, X., Wang, X., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H., Elmore, S.W.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
4NVQ
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HUMAN G9A IN COMPLEX WITH INHIBITOR A-366
Descriptor:Histone-lysine N-methyltransferase EHMT2, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Sweis, R.F., Pliushchev, M., Brown, P.J., Guo, J., Li, F., Maag, D., Petros, A.M., Soni, N.B., Tse, C., Vedadi, M., Michaelides, M.R., Chiang, G.G., Pappano, W.N.
Deposit date:2013-12-05
Release date:2014-01-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.
ACS Med Chem Lett, 5, 2014
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