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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
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
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