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2BBQ
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BU of 2bbq by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF POLYGLUTAMYL FOLATES BY THYMIDYLATE SYNTHASE
Descriptor: 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Kamb, A, Finer-Moore, J, Stroud, R.M.
Deposit date:1992-09-16
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for recognition of polyglutamyl folates by thymidylate synthase.
Biochemistry, 31, 1992
6L96
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BU of 6l96 by Molmil
Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide
Authors:Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H.
Deposit date:2019-11-08
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations.
Int J Mol Sci, 21, 2020
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
8EB2
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BU of 8eb2 by Molmil
Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab
Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NY-ESO-1 peptide, ...
Authors:Jette, C.A, West, A.P.
Deposit date:2022-08-30
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HLA-A∗02-gated safety switch for cancer therapy has exquisite specificity for its allelic target antigen.
Mol Ther Oncolytics, 27, 2022
1JTU
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BU of 1jtu by Molmil
E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
Authors:Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
Deposit date:2001-08-22
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001

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