Author results

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
5IEZ
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS USING STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid
Authors:Zhao, B.
Deposit date:2016-02-25
Release date:2017-01-18
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5IF4
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS USING STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid
Authors:Zhao, B.
Deposit date:2016-02-25
Release date:2017-01-18
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5UUK
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HUMAN BFL-1 IN COMPLEX WITH A BFL-1-SPECIFIC SELECTED PEPTIDE
Descriptor:Bcl-2-related protein A1, Bfl-1-specific selected peptide, SULFATE ION
Authors:Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-02-17
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUL
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HUMAN BFL-1 IN COMPLEX WITH PUMA BH3
Descriptor:Bcl-2-related protein A1, Bcl-2-binding component 3, SULFATE ION
Authors:Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-02-17
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUM
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HUMAN MCL-1 IN COMPLEX WITH A BFL-1-SPECIFIC SELECTED PEPTIDE
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bfl-1 specific peptide FS2, ZINC ION, ...
Authors:Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-02-17
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUP
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HUMAN BFL-1 COVALENTLY CROSS-LINKED TO AN ELECTROPHILIC VARIANT OF A BFL-1-SPECIFIC SELECTED PEPTIDE
Descriptor:Bcl-2-related protein A1, Bfl-1-specific selected peptide, SULFATE ION
Authors:Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-02-17
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5W89
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CRYSTAL STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH MODIFIED BIM BH3 PEPTIDE SAH-MS1-18
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, modified Bim BH3 peptide SAH-MS1-18, ZINC ION
Authors:Rezaei Araghi, R., Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W8F
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CRYSTAL STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH MODIFIED BIM BH3 PEPTIDE SAH-MS1-14
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, modified Bim BH3 peptide SAH-MS1-14, ZINC ION
Authors:Rezaei Araghi, R., Jenson, J.M., Grant, R.A., Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5UJB
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STRUCTURE OF A MCL-1 INHIBITOR BINDING TO SITE 3 OF HUMAN SERUM ALBUMIN
Descriptor:Serum albumin, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION
Authors:Zhao, B.
Deposit date:2017-01-17
Release date:2017-05-03
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017