Author results

1Q1M
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A HIGHLY EFFICIENT APPROACH TO A SELECTIVE AND CELL ACTIVE PTP1B INHIBITORS
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
Authors:Liu, G., Xin, Z., Pei, Z., Hajduk, P.J., Abad-Zapatero, C., Hutchins, C.W., Zhao, H., Lubben, T.H., Ballaron, S.J., Haasch, D.L., Kaszubska, W., Rondinone, C.M., Trevillyan, J.M., Jirousek, M.R.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
4HW2
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, TRIETHYLENE GLYCOL, ...
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW3
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW4
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A., Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4ZBF
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZBI
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
5FC4
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MCL-1 COMPLEXED WITH SMALL MOLECULE INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Authors:Zhao, B.
Deposit date:2015-12-14
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FDO
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MCL-1 COMPLEXED WITH SMALL MOLECULE INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide
Authors:Zhao, B.
Deposit date:2015-12-16
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FDR
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MCL-1 COMPLEXED WITH SMALL MOLECULE INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid
Authors:Zhao, B.
Deposit date:2015-12-16
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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
6BW2
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-({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}methyl)benzoic acid
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
6BW8
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-{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-3-carboxylic acid
Authors:Zhao, B.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
6DM8
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UNDERSTANDING THE SPECIES SELECTIVITY OF MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, 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, MALTOSE
Authors:Zhao, B.
Deposit date:2018-06-04
Release date:2018-08-01
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
1ZP5
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A N-HYDROXYUREA INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Campestre, C., Agamennone, M., Tortorella, P., Preziuso, S., Biasone, A., Gavuzzo, E., Pochetti, G., Mazza, F., Tschesche, H., Gallina, C.
Deposit date:2005-05-16
Release date:2005-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006