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1POG
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BU of 1pog by Molmil
SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS
Descriptor: OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN
Authors:Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R.
Deposit date:1994-10-12
Release date:1995-07-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics.
J.Biomol.NMR, 6, 1995
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
Descriptor: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTY
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BU of 8tty by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
Descriptor: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-03-28
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8OW2
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BU of 8ow2 by Molmil
Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938
Descriptor: 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2023-04-26
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
6OKD
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BU of 6okd by Molmil
Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Finton, K.A.K, Rupert, P.B, Strong, R.K.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
6OKE
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BU of 6oke by Molmil
Crystal structure of an apo Transferrin-Receptor-Binding cystine-dense peptide
Descriptor: Transferrin-Receptor Binding Peptide
Authors:Rupert, P.B, Strong, R.K.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
7PG5
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BU of 7pg5 by Molmil
Crystal Structure of PI3Kalpha
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.20029068 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
7PG6
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BU of 7pg6 by Molmil
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49943733 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8BFU
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BU of 8bfu by Molmil
Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2022-10-26
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
5NGE
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BU of 5nge by Molmil
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
Descriptor: 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
5NGF
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BU of 5ngf by Molmil
Crystal structure of USP7 in complex with the covalent inhibitor, FT827
Descriptor: 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
Authors:Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017

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