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2GIZ
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BU of 2giz by Molmil
Structural and functional analysis of Natrin, a member of crisp-3 family blocks a variety of ion channels
Descriptor: Natrin-1
Authors:Jiang, T, Wang, F, Li, H, Yin, C, Zhou, Y, Shu, Y, Qi, Z, Lin, Z.
Deposit date:2006-03-30
Release date:2006-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and functional analysis of natrin, a venom protein that targets various ion channels
Biochem.Biophys.Res.Commun., 351, 2006
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
Descriptor: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2016-01-27
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
7VO4
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BU of 7vo4 by Molmil
Pimaricin type I PKS thioesterase domain (apo Pim TE)
Descriptor: SULFATE ION, ScnS4
Authors:Bai, L, Zhou, Y.
Deposit date:2021-10-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insights into Chain Release of the Polyene PKS Thioesterase Domain
Acs Catalysis, 12, 2022
7VO5
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BU of 7vo5 by Molmil
Pimaricin type I PKS thioesterase domain (holo Pim TE)
Descriptor: (1R,3S,5E,7S,11R,13E,15E,17E,19E,21R,23S,24R,25S)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one, ScnS4
Authors:Bai, L, Zhou, Y.
Deposit date:2021-10-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Mechanistic Insights into Chain Release of the Polyene PKS Thioesterase Domain
Acs Catalysis, 12, 2022
8TGC
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BU of 8tgc by Molmil
Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 4
Descriptor: Plasmid-derived single-stranded DNA-binding protein, Recombination protein bet
Authors:Bell, C.E.
Deposit date:2023-07-12
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein.
To Be Published
8TG7
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BU of 8tg7 by Molmil
Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 2
Descriptor: Plasmid-derived single-stranded DNA-binding protein, Recombination protein bet
Authors:Bell, C.E.
Deposit date:2023-07-12
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein.
To Be Published
8TG8
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BU of 8tg8 by Molmil
Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 3
Descriptor: Recombination protein bet, TRP-MET-ASP-PHE-ASP-ASP-ASP-ILE-PRO-PHE
Authors:Bell, C.E.
Deposit date:2023-07-12
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein.
To Be Published
8TFU
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BU of 8tfu by Molmil
Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 1
Descriptor: Plasmid-derived single-stranded DNA-binding protein, Recombination protein bet
Authors:Bell, C.E.
Deposit date:2023-07-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein.
To Be Published
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
Descriptor: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-07-22
Release date:2024-01-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023

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