Author results

5LOF
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CRYSTAL STRUCTURE OF THE MBP-MCL1 COMPLEX WITH HIGHLY SELECTIVE AND POTENT INHIBITOR OF MCL1
Descriptor:Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, MALTOSE
Authors:Dokurno, P., Kotschy, A., Szlavik, Z., Murray, J., Davidson, J., Csekei, M., Paczal, A., Szabo, Z., Sipos, S., Radics, G., Proszenyak, A., Balint, B., Ondi, L., Blasko, G., Robertson, A., Surgenor, A., Chen, I., Matassova, N., Smith, J., Pedder, C., Graham, C., Geneste, O.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
6GL8
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CRYSTAL STRUCTURE OF BCL-2 IN COMPLEX WITH THE NOVEL ORALLY ACTIVE INHIBITOR S55746
Descriptor:Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Casara, P., Davidson, J., Claperon, A., Le Toumelin-Braizat, G., Vogler, M., Bruno, A., Chanrion, M., Lysiak-Auvity, G., Le Diguarher, T., Starck, J.B., Chen, I., Whitehead, N., Graham, C., Matassova, N., Dokurno, P., Pedder, C., Wang, Y., Qiu, S., Girard, A.M., Schneider, E., Grave, F., Studeny, A., Guasconi, G., Rocchetti, F., Maiga, S., Henlin, J.M., Colland, F., Kraus-Berthier, L., Le Gouill, S., Dyer, M.J.S., Hubbard, R., Wood, M., Amiot, M., Cohen, G.M., Hickman, J.A., Morris, E., Murray, J., Geneste, O.
Deposit date:2018-05-23
Release date:2018-11-07
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
6QFI
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH BIM BH3 PEPTIDE
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bcl-2-like protein 11, ZINC ION
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFM
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH PUMA BH3 PEPTIDE
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bcl-2-binding component 3, ZINC ION, ...
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFQ
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH INDOLE ACID INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QG8
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH PUMA BH3 PEPTIDE
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGD
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH THIENOPYRIMIDINE INHIBITOR
Descriptor:Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, MALTOSE, ...
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGG
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH ANALOGUE OF ABT-737
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGH
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH ABT-263
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGJ
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH FRAGMENT/ABT-263 HYBRID
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGK
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH THIQ-PHENYL PYRAZOLE COMPOUND
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QXJ
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 6A
Descriptor:Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, MALTOSE, ...
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-07
Release date:2019-08-07
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QYK
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 7A
Descriptor:Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, MALTOSE
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QYL
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 8A
Descriptor:Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, MALTOSE, ...
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QYN
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 10D
Descriptor:Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, MALTOSE
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QYO
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 18A
Descriptor:Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, MALTOSE
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QYP
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STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 13
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZ5
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STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 8A
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZ6
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STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 8B
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZ7
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STRUCTURE OF MBP-MCL-1 IN COMPLEX WITH COMPOUND 8B
Descriptor:Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, MALTOSE, ...
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZ8
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STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 10D
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZB
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STRUCTURE OF MCL-1 IN COMPLEX WITH COMPOUND 8D
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
Authors:Dokurno, P., Szlavik, Z., Ondi, L., Csekei, M., Paczal, A., Szabo, Z.B., Radics, G., Murray, J., Davidson, J., Chen, I., Davis, B., Hubbard, R.E., Pedder, C., Surgenor, A.E., Smith, J., Robertson, A., LeToumelin-Braizat, G., Cauquil, N., Zarka, M., Demarles, D., Perron-Sierra, F., Geneste, O., Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019