3Q9N | | IN SILICO AND IN VITRO CO-EVOLUTION OF A HIGH AFFINITY COMPLEMENTARY PROTEIN-PROTEIN INTERFACE | | Descriptor: | CoA binding protein, consensus ankyrin repeat, CARBAMOYL SARCOSINE, ... | | Authors: | Karanicolas, J., Corn, J.E., Chen, I., Joachimiak, L.A., Dym, O., Chung, S., Albeck, S., Unger, T., Hu, W., Liu, G., Delbecq, S., Montelione, G.T., Spiegel, C., Liu, D., Baker, D., Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-01-09 | | Release date: | 2011-04-27 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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3Q9U | | IN SILICO AND IN VITRO CO-EVOLUTION OF A HIGH AFFINITY COMPLEMENTARY PROTEIN-PROTEIN INTERFACE | | Descriptor: | CoA binding protein, consensus ankyrin repeat, COENZYME A | | Authors: | Karanicolas, J., Corn, J.E., Chen, I., Joachimiak, L.A., Dym, O., Chung, S., Albeck, S., Unger, T., Hu, W., Liu, G., Delbecq, S., Montelione, G.T., Spiegel, C., Liu, D., Baker, D., Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-01-10 | | Release date: | 2011-04-20 | | Last modified: | 2011-07-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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5LOF | | 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
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6GL8 | | 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
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6QFI | | 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
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6QFM | | 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
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6QFQ | | 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
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6QG8 | | 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
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6QGD | | 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
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6QGG | | 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
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6QGH | | 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
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6QGJ | | 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
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6QGK | | 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
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6QXJ | | 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
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6QYK | | 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
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6QYL | | 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
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6QYN | | 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
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6QYO | | 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
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6QYP | | 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
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6QZ5 | | 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
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6QZ6 | | 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
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6QZ7 | | 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
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6QZ8 | | 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
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6QZB | | 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
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5OOP | | STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH AMP-PNP | | Descriptor: | Serine/threonine-protein kinase Chk1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E. | | Deposit date: | 2017-08-08 | | Release date: | 2017-10-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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