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4E8U
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BU of 4e8u by Molmil
Crystal structure of Arabidopsis IDN2 XS domain along with a small segment of adjacent coiled-coil region
Descriptor: Putative uncharacterized protein T8P19.180, SULFATE ION
Authors:Simanshu, D.K, Patel, D.J.
Deposit date:2012-03-20
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:INVOLVED IN DE NOVO 2-containing complex involved in RNA-directed DNA methylation in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4NHA
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BU of 4nha by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 16-mer siRNA having 5'-p and UU-3' ends (3.4 Angstrom resolution)
Descriptor: 5'-R(P*GP*CP*GP*UP*UP*GP*GP*CP*CP*AP*AP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Ma, J.-B, Patel, D.J.
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NGG
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BU of 4ngg by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 13-mer siRNA having 5'-A and UU-3' ends (2.6 Angstrom resolution)
Descriptor: 5'-R(*AP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer, PHOSPHATE ION
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NGC
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BU of 4ngc by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 12-mer siRNA having UA-3' ends (2.1 Angstrom resolution)
Descriptor: 5'-R(*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*A)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NH6
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BU of 4nh6 by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 15-mer siRNA having 5'-pUUU and UU-3' ends (2.55 Angstrom resolution)
Descriptor: 5'-R(P*UP*UP*UP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NGF
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BU of 4ngf by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 17-mer siRNA having 5'-p and UU-3' ends (3.1 Angstrom resolution)
Descriptor: 5'-R(P*UP*CP*GP*AP*AP*GP*GP*UP*CP*CP*UP*UP*CP*GP*UP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NGB
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BU of 4ngb by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 12-mer siRNA having UU-3' ends (2.25 Angstrom resolution)
Descriptor: 5'-R(*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NH3
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BU of 4nh3 by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 13-mer siRNA having 5'-pU and UU-3' ends (2.6 Angstrom resolution)
Descriptor: 5'-R(P*UP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Chan, A.H, Simanshu, D.K.
Deposit date:2022-08-31
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
6WS4
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BU of 6ws4 by Molmil
Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tran, T.H, Simanshu, D.K.
Deposit date:2020-04-30
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
6WS2
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BU of 6ws2 by Molmil
Crystal structure of KRAS-K104Q mutant, GDP-bound
Descriptor: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tran, T.H, Simanshu, D.K.
Deposit date:2020-04-30
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
7TVF
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BU of 7tvf by Molmil
Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom
Descriptor: CHLORIDE ION, GLYCEROL, Leucine-rich repeat protein SHOC-2, ...
Authors:Bonsor, D.A, Simanshu, D.K.
Deposit date:2022-02-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome.
Nat.Struct.Mol.Biol., 29, 2022
7TVG
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BU of 7tvg by Molmil
Crystal Structure of SHOC2 to a resolution of 2.4 Angstrom
Descriptor: CHLORIDE ION, Leucine-rich repeat protein SHOC-2, SULFATE ION
Authors:Bonsor, D.A, Simanshu, D.K.
Deposit date:2022-02-04
Release date:2022-05-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome.
Nat.Struct.Mol.Biol., 29, 2022
6CU6
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BU of 6cu6 by Molmil
Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b
Descriptor: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
Authors:Tran, T.H, Simanshu, D.K.
Deposit date:2018-03-23
Release date:2019-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atypical KRASG12RMutant Is Impaired in PI3K Signaling and Macropinocytosis in Pancreatic Cancer.
Cancer Discov, 10, 2020
8EQ5
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BU of 8eq5 by Molmil
Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3, Sprouty-related, ...
Authors:Bonsor, D.A, Lopez, J, McCormick, F, Simanshu, D.K.
Deposit date:2022-10-07
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling.
J.Biol.Chem., 299, 2023
8EPW
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BU of 8epw by Molmil
Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2022-10-06
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
5TAR
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BU of 5tar by Molmil
Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Dharmaiah, S, Tran, T.H, Simanshu, D.K.
Deposit date:2016-09-10
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016
5TB5
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BU of 5tb5 by Molmil
Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region)
Descriptor: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
Authors:Dharmaiah, S, Tran, T.H, Simanshu, D.K.
Deposit date:2016-09-11
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016
6OB3
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BU of 6ob3 by Molmil
Crystal structure of G13D-KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GTPase KRas, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2019-03-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OB2
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BU of 6ob2 by Molmil
Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2019-03-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6P0Z
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BU of 6p0z by Molmil
Crystal structure of N-acetylated KRAS (2-169) bound to GDP and Mg
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
Authors:Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
Deposit date:2019-05-17
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.011 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
6PQ3
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BU of 6pq3 by Molmil
Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
Deposit date:2019-07-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
2Z6R
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BU of 2z6r by Molmil
Crystal structure of Lys49 to Arg mutant of Diphthine synthase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Mizutani, H, Matsuura, Y, Krishna Swamy, B.S, Simanshu, D.K, Murthy, M.R.N, Kunishima, N.
Deposit date:2007-08-08
Release date:2007-08-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of diphthine synthase from Pyrococcus horikoshii OT3
To be Published
3Q0B
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BU of 3q0b by Molmil
Crystal structure of SUVH5 SRA- fully methylated CG DNA complex in space group P42212
Descriptor: DNA (5'-D(*AP*CP*TP*AP*(5CM)P*GP*TP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH5
Authors:Eerappa, R, Simanshu, D.K, Patel, D.J.
Deposit date:2010-12-15
Release date:2011-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
3Q0F
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BU of 3q0f by Molmil
Crystal structure of SUVH5 SRA- methylated CHH DNA complex
Descriptor: DNA (5'-D(*CP*TP*GP*AP*GP*GP*AP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*(5CM)P*CP*TP*CP*AP*G)-3'), Histone-lysine N-methyltransferase, ...
Authors:Eerappa, R, Simanshu, D.K, Patel, D.J.
Deposit date:2010-12-15
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011

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