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7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
Descriptor: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
Authors:Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
Deposit date:2021-08-10
Release date:2021-10-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
1APM
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BU of 1apm by Molmil
2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
Descriptor: N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE
Authors:Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M.
Deposit date:1993-01-18
Release date:1993-04-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
7S0U
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BU of 7s0u by Molmil
PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound
Descriptor: 1,2-ETHANEDIOL, 4-(aminomethyl)phthalazin-1(2H)-one, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A.
Deposit date:2021-08-31
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
7S1R
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BU of 7s1r by Molmil
PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
Deposit date:2021-09-02
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
7S1Q
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BU of 7s1q by Molmil
PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (Compound 9)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A.
Deposit date:2021-09-02
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
7SER
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BU of 7ser by Molmil
PRMT5/MEP50 with compound 30 bound
Descriptor: (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
7S1S
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BU of 7s1s by Molmil
PRMT5/MEP50 crystal structure with MTA and MRTX-1719 bound
Descriptor: (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
Deposit date:2021-09-02
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
6FFN
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BU of 6ffn by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7SES
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BU of 7ses by Molmil
PRMT5/MEP50 with compound 29 bound
Descriptor: (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A.
Deposit date:2021-10-01
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
6AZE
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BU of 6aze by Molmil
Crystal Structure of the BPTF PHD-bromodomain module bound to H3KC4me3 methyl lysine analog
Descriptor: ALA-ARG-THR-ML3-GLN-THR, Nucleosome-remodeling factor subunit BPTF, ZINC ION
Authors:Chen, Z, Ruthenburg, A.J.
Deposit date:2017-09-11
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Quantitative and structural assessment of methyllysine analog engagement by cognate binding proteins reveals decrements that can impact qualitative experiment interpretation
To be published
7S1P
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BU of 7s1p by Molmil
PRMT5/MEP50 crystal structure with sinefungin bound
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, SINEFUNGIN
Authors:Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A.
Deposit date:2021-09-02
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
5EXA
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BU of 5exa by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2015-11-23
Release date:2016-05-04
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
5EWZ
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BU of 5ewz by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2
Authors:Bier, D, Ottmann, C.
Deposit date:2015-11-23
Release date:2016-05-04
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
8XVV
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BU of 8xvv by Molmil
The TRRAP module of human NuA4/TIP60 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Isoform 2 of E1A-binding protein p400, Isoform 2 of Transformation/transcription domain-associated protein
Authors:Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y.
Deposit date:2024-01-15
Release date:2024-07-24
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human TIP60 complex.
Nat Commun, 15, 2024
8VHW
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BU of 8vhw by Molmil
Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-02
Release date:2024-07-31
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VHY
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BU of 8vhy by Molmil
Neutron Structure of Reduced Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-02
Release date:2024-07-31
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VJ4
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BU of 8vj4 by Molmil
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VJ5
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BU of 8vj5 by Molmil
Peroxide-Soaked MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VJ0
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BU of 8vj0 by Molmil
Neutron Structure of Oxidized Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:NEUTRON DIFFRACTION (2.3 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VJ8
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BU of 8vj8 by Molmil
X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
4GIZ
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BU of 4giz by Molmil
Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution
Descriptor: Maltose-binding periplasmic protein, UBIQUITIN LIGASE EA6P: chimeric protein, Protein E6, ...
Authors:McEwen, A.G, Zanier, K, Charbonnier, S, Poussin, P, Cura, V, Vande Pol, S, Trave, G, Cavarelli, J.
Deposit date:2012-08-09
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for hijacking of cellular LxxLL motifs by papillomavirus E6 oncoproteins.
Science, 339, 2013
3E0F
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BU of 3e0f by Molmil
Crystal structure of a putative metal-dependent phosphoesterase (bad_1165) from bifidobacterium adolescentis atcc 15703 at 2.40 A resolution
Descriptor: ACETATE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-07-31
Release date:2008-09-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity.
Proteins, 79, 2011
7M05
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BU of 7m05 by Molmil
CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988
Descriptor: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McMillan, B.J, McKinney, D.C, Timm, D.E.
Deposit date:2021-03-10
Release date:2021-03-17
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
2WZR
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BU of 2wzr by Molmil
The Structure of Foot and Mouth Disease Virus Serotype SAT1
Descriptor: POLYPROTEIN
Authors:Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E.
Deposit date:2009-12-02
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of Foot-and-Mouth Disease Virus Serotype Sat1.
To be Published
7SI5
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BU of 7si5 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-1919
Descriptor: (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED

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