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4A7J
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BU of 4a7j by Molmil
Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance
Descriptor: HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5
Authors:Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E.
Deposit date:2011-11-14
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance
Nat.Struct.Mol.Biol., 19, 2012
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
7O2I
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BU of 7o2i by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457
Descriptor: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
Authors:Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2021-03-30
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
7TZL
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BU of 7tzl by Molmil
The DH dehydratase domain of AlnB
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase
To Be Published
5IT5
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BU of 5it5 by Molmil
Thermus thermophilus PilB core ATPase region
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP binding motif-containing protein PilF, MAGNESIUM ION, ...
Authors:Mancl, J, Robinson, H, Black, W, Yang, Z, Schubot, F.
Deposit date:2016-03-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Crystal Structure of a Type IV Pilus Assembly ATPase: Insights into the Molecular Mechanism of PilB from Thermus thermophilus.
Structure, 24, 2016
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
Descriptor: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
Deposit date:2020-04-06
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
6NO9
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BU of 6no9 by Molmil
PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ...
Authors:Murray, J.M, Noland, C.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
Descriptor: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Leonard, P.M.
Deposit date:2018-11-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
8OEG
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BU of 8oeg by Molmil
PDE4B bound to MAPI compound 92a
Descriptor: MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ...
Authors:Rizzi, A, Armani, E.
Deposit date:2023-03-10
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023

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