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5OO1
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BU of 5oo1 by Molmil
Cdk2(F80C, C177A) covalent adduct with C37 at F80C
Descriptor: Cyclin-dependent kinase 2, ~{N}-(4-pyrimidin-2-ylphenyl)propanamide
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-throughput kinetic analysis for target-directed covalent ligand discovery
To be published
5LX5
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BU of 5lx5 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP.
Descriptor: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Bertrand, T, Marquette, J.P.
Deposit date:2016-09-20
Release date:2017-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP
To Be Published
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5QSI
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BU of 5qsi by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z933326822
Descriptor: 3-(benzyloxy)aniline, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
To Be Published
2W99
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BU of 2w99 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-22
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2VUS
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BU of 2vus by Molmil
Crystal structure of unliganded NmrA-AreA zinc finger complex
Descriptor: CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
5QSB
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BU of 5qsb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition
To Be Published
5LMK
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BU of 5lmk by Molmil
Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor
Descriptor: 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A.
Deposit date:2016-08-01
Release date:2017-01-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
4WUH
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BU of 4wuh by Molmil
Crystal structure of E. faecalis DNA binding domain LiaR wild type complexed with 22bp DNA
Descriptor: DNA (5'-D(P*AP*AP*AP*TP*CP*G)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*AP*AP*GP*AP*AP*CP*GP*AP*TP*TP*T)-3'), DNA (5'-D(P*TP*TP*CP*TP*TP*AP*AP*GP*TP*CP*C)-3'), ...
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-31
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
5U8T
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BU of 5u8t by Molmil
Structure of Eukaryotic CMG Helicase at a Replication Fork and Implications
Descriptor: Cell division control protein 45, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA replication complex GINS protein PSF1, ...
Authors:Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, Li, H, O'Donnell, M.E.
Deposit date:2016-12-15
Release date:2017-02-08
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5QSH
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BU of 5qsh by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434868
Descriptor: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QT0
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BU of 5qt0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z321318226
Descriptor: N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-26
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSA
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BU of 5qsa by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434778
Descriptor: 2-(trifluoromethoxy)benzoic acid, T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-05-25
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
4WSZ
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BU of 4wsz by Molmil
Crystal structure of the DNA binding domains of wild type LiaR from E. faecalis
Descriptor: ACETATE ION, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-29
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
4WT0
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BU of 4wt0 by Molmil
Crystal structure of the DNA binding domains of LiaRD191N from E. faecalis
Descriptor: PRASEODYMIUM ION, Response regulator receiver domain protein
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-29
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1D
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BU of 5d1d by Molmil
Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
7T1Y
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BU of 7t1y by Molmil
Structure of the Fbw7-Skp1-MycCdegron complex
Descriptor: F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ...
Authors:Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
Deposit date:2021-12-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
8VAP
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BU of 8vap by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Fully-Open conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
8VAR
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BU of 8var by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA2 conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
5LTY
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BU of 5lty by Molmil
Homeobox transcription factor CDX2 bound to methylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
Authors:Morgunova, E, Popov, A, Taipale, J.
Deposit date:2016-09-07
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
8VAQ
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BU of 8vaq by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA1 conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
7TPT
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BU of 7tpt by Molmil
Single-particle Cryo-EM structure of Arp2/3 complex at branched-actin junction.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Ding, B, Narvaez-Ortiz, H.Y, Nolen, B.J, Chowdhury, S.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of Arp2/3 complex at a branched actin filament junction resolved by single-particle cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
Authors:Patel, A, Panne, D.
Deposit date:2022-04-11
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
8VAL
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BU of 8val by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Open-DNAp/t conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
Authors:Landeck, J.T, Kelch, B.A.
Deposit date:2023-12-11
Release date:2024-03-27
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024

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数据于2024-07-31公开中

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