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4IL1
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BU of 4il1 by Molmil
Crystal Structure of the Rat Calcineurin
Descriptor: CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ...
Authors:Ye, Q, Faucher, F, Jia, Z.
Deposit date:2012-12-28
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of calcineurin activation by calmodulin.
Cell Signal, 25, 2013
3UIN
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BU of 3uin by Molmil
Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2
Descriptor: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
Authors:Gareau, J.R, Reverter, D, Lima, C.D.
Deposit date:2011-11-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
4MDF
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BU of 4mdf by Molmil
Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA
Descriptor: CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A.
Deposit date:2013-08-22
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
4I5H
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BU of 4i5h by Molmil
Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor
Descriptor: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2012-11-28
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence determinants of a specific inactive protein kinase conformation.
Chem.Biol., 20, 2013
6OEV
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BU of 6oev by Molmil
Structure of human Patched1 in complex with native Sonic Hedgehog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1, ...
Authors:Qi, X, Li, X.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
Descriptor: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
Authors:Schulze-Gahmen, U, Alber, T.
Deposit date:2014-01-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
6OEU
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BU of 6oeu by Molmil
Structure of human Patched1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1
Authors:Qi, X, Li, X, Wang, J.
Deposit date:2019-03-27
Release date:2019-04-10
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
4DFX
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BU of 4dfx by Molmil
Crystal structure of myristoylated K7C catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP
Descriptor: GLYCEROL, MAGNESIUM ION, MYRISTIC ACID, ...
Authors:Bastidas, A.C, Steichen, J.M, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-06-06
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
4DG2
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BU of 4dg2 by Molmil
Crystal structure of myristoylated WT catalytic subunit of cAMP-dependent protein kinase in complex with SP20
Descriptor: MYRISTIC ACID, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Bastidas, A.C, Steichen, J.M, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-06-06
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
Authors:Harkins, P.C, Zhang, F, Goldsmith, E.J.
Deposit date:1996-01-23
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
5KKL
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BU of 5kkl by Molmil
Structure of ctPRC2 in complex with H3K27me3 and H3K27M
Descriptor: ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA, Putative uncharacterized protein,Histone H3.1 peptide,Zinc finger domain-containing protein, S-ADENOSYLMETHIONINE, ...
Authors:Jiao, L, Liu, X.
Deposit date:2016-06-21
Release date:2017-04-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Science, 354, 2016
7MXG
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BU of 7mxg by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXC
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BU of 7mxc by Molmil
PRMT5:MEP50 complexed with adenosine
Descriptor: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
1ZQ3
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BU of 1zq3 by Molmil
NMR Solution Structure of the Bicoid Homeodomain Bound to the Consensus DNA Binding Site TAATCC
Descriptor: 5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3', 5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3', Homeotic bicoid protein
Authors:Baird-Titus, J.M, Rance, M, Clark-Baldwin, K, Ma, J, Vrushank, D.
Deposit date:2005-05-18
Release date:2006-02-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the native K50 Bicoid homeodomain bound to the consensus TAATCC DNA-binding site.
J.Mol.Biol., 356, 2006
4DFZ
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BU of 4dfz by Molmil
Crystal structure of myristoylated K7C catalytic subunit of cAMP-dependent protein kinase in complex with SP20
Descriptor: MYRISTIC ACID, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Bastidas, A.C, Steichen, J.M, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-06-06
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
4DG0
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BU of 4dg0 by Molmil
Crystal structure of myristoylated WT catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP
Descriptor: MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Bastidas, A.C, Steichen, J.M, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-06-06
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
1M4U
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BU of 1m4u by Molmil
Crystal structure of Bone Morphogenetic Protein-7 (BMP-7) in complex with the secreted antagonist Noggin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone Morphogenetic Protein-7, Noggin
Authors:Groppe, J, Greenwald, J, Wiater, E, Rodriguez-Leon, J, Economides, A.N, Kwiatkowski, W, Affolter, M, Vale, W.W, Izpisua-Belmonte, J.C, Choe, S.
Deposit date:2002-07-03
Release date:2002-12-18
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of BMP Signalling Inhibition by the Cystine Knot Protein Noggin
Nature, 420, 2002
4MDE
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BU of 4mde by Molmil
Structure of bacterial polynucleotide kinase product complex bound to GDP and DNA
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A.
Deposit date:2013-08-22
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
4NAC
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BU of 4nac by Molmil
Crystal Structure of the N-terminal Domain of p15RS
Descriptor: Regulation of nuclear pre-mRNA domain-containing protein 1A
Authors:Mei, K, Jin, Z, Ren, F, Wang, Y.
Deposit date:2013-10-22
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal Structure of the N-terminal Domain of p15RS
To be Published
3MU6
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BU of 3mu6 by Molmil
Inhibiting the Binding of Class IIa Histone Deacetylases to Myocyte Enhancer Factor-2 by Small Molecules
Descriptor: (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide, DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), ...
Authors:Jayathilaka, N, Han, A, Gaffney, K, Dey, R, He, J, Ye, J, Gao, T, Petasis, N.A, Chen, L.
Deposit date:2010-05-01
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.434 Å)
Cite:Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2.
Nucleic Acids Res., 40, 2012
5FP6
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BU of 5fp6 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site.
Descriptor: 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
8CYV
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BU of 8cyv by Molmil
CryoEM structures of amplified alpha-synuclein fibril class B mixed type I/II with extended core from DLB case II
Descriptor: Alpha-synuclein
Authors:Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
Deposit date:2022-05-24
Release date:2023-05-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published

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