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6NM7
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PD-L1 IGV DOMAIN BOUND TO FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Authors:Perry, E., Zhao, B.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NM8
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IGV-V76T BMS COMPOUND 105
Descriptor:Programmed cell death 1 ligand 1, N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
Authors:Perry, E., Zhao, B., Fesik, S.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NNV
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PD-L1 IGV DOMAIN COMPLEX WITH MACRO-CYCLIC PEPTIDE
Descriptor:Programmed cell death 1 ligand 1, macrocyclic peptide
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-15
Release date:2019-02-20
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NOJ
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PD-L1 IGV DOMAIN V76T WITH FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-16
Release date:2019-02-20
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NOS
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PD-L1 IGV DOMAIN V76T WITH FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-16
Release date:2019-02-20
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NP9
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PD-L1 IGV DOMAIN V76T WITH FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, SULFATE ION
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-17
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
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
6NE5
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS THAT DEMONSTRATE IN VIVO ACTIVITY IN MOUSE XENOGRAFT MODELS OF HUMAN CANCER
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid
Authors:Zhao, B.
Deposit date:2018-12-17
Release date:2019-04-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer.
J. Med. Chem., 2019