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3I7P
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BU of 3i7p by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR40A
Descriptor: DNA damage-binding protein 1, WD repeat-containing protein 40A
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
4KXX
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BU of 4kxx by Molmil
Human transketolase in covalent complex with donor ketose D-sedoheptulose-7-phosphate
Descriptor: (2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
3IIF
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BU of 3iif by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form B)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1
Authors:Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
Deposit date:2009-07-31
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
6VUC
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BU of 6vuc by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7b (1-methyl-4-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one)
Descriptor: (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-14
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
4XEG
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BU of 4xeg by Molmil
Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2014-12-23
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
4XF2
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BU of 4xf2 by Molmil
Tetragonal structure of Arp2/3 complex
Descriptor: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ...
Authors:Jurgenson, C.T, Pollard, T.P.
Deposit date:2014-12-25
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
6W92
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BU of 6w92 by Molmil
Human UHRF1 TTD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1
Authors:Campbell, J.C, Chang, L, Sankaran, B, Young, D.W.
Deposit date:2020-03-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
6W1S
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BU of 6w1s by Molmil
Atomic model of the mammalian Mediator complex
Descriptor: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
Authors:Zhao, H, Young, N, Asturias, F.
Deposit date:2020-03-04
Release date:2021-03-10
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:A Pliable Mediator Acts as a Functional Rather Than an Architectural Bridge between Promoters and Enhancers.
Cell, 178, 2019
4CY1
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BU of 4cy1 by Molmil
Crystal structure of the KANSL1-WDR5 complex.
Descriptor: GLYCEROL, KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, WD REPEAT-CONTAINING PROTEIN 5
Authors:Dias, J, Brettschneider, J, Cusack, S, Kadlec, J.
Deposit date:2014-04-09
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
6VXU
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BU of 6vxu by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
Descriptor: (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, ...
Authors:dos Reis, C.V, Dutra, L.A, Gama, F.H, Mascarello, A, Azevedo, H, Guimaraes, C.R, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-24
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
To Be Published
4CI3
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BU of 4ci3 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to Pomalidomide
Descriptor: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Pomalidomide, ...
Authors:Fischer, E.S, Boehm, K, Thoma, N.H.
Deposit date:2013-12-05
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
3IHI
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BU of 3ihi by Molmil
Crystal structure of mouse thymidylate synthase
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
Deposit date:2009-07-30
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
3IID
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BU of 3iid by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ...
Authors:Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
Deposit date:2009-07-31
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
3QQ8
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BU of 3qq8 by Molmil
Crystal structure of p97-N in complex with FAF1-UBX
Descriptor: CHLORIDE ION, FAS-associated factor 1, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-02-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
3I7O
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BU of 3i7o by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of IQWD1
Descriptor: DNA damage-binding protein 1, IQ motif and WD repeat-containing protein 1
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
7O18
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BU of 7o18 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282
Descriptor: (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2021-03-28
Release date:2021-10-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
4XHU
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BU of 4xhu by Molmil
The complex structure of Timeless_PAB and PARP-1_catalytic domain
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Xie, S, Qian, C.
Deposit date:2015-01-06
Release date:2015-09-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair.
Mol.Cell, 60, 2015
7O2V
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BU of 7o2v by Molmil
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
Descriptor: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A
Authors:Garau, G.
Deposit date:2021-03-31
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
4CN0
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BU of 4cn0 by Molmil
An intertwined homodimer of the PDZ homology domain of AHNAK2
Descriptor: POTASSIUM ION, PROTEIN AHNAK2, TETRAETHYLENE GLYCOL
Authors:Han, H, Kursula, P.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Periaxin and Ahnak Nucleoprotein 2 Form Intertwined Homodimers Through Domain Swapping
J.Biol.Chem., 289, 2014
7NV1
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BU of 7nv1 by Molmil
Human Pol Kappa holoenzyme with Ub-PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
7NV0
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BU of 7nv0 by Molmil
Human Pol Kappa holoenzyme with wt PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
3I7N
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BU of 3i7n by Molmil
Crystal Structure of DDB1 in Complex with the H-Box Motif of WDTC1
Descriptor: DNA damage-binding protein 1, WD and tetratricopeptide repeats protein 1
Authors:Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N.
Deposit date:2009-07-08
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
3QSV
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BU of 3qsv by Molmil
Structural basis for DNA recognition by constitutive Smad4 MH1 dimers
Descriptor: DNA (5'-D(P*TP*GP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 4, ZINC ION
Authors:Baburajendran, N, Jauch, R, Zhen, C.T.Y, Kolatkar, P.R.
Deposit date:2011-02-22
Release date:2011-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by constitutive Smad4 MH1 dimers
To be Published
4CY2
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BU of 4cy2 by Molmil
Crystal structure of the KANSL1-WDR5-KANSL2 complex.
Descriptor: KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, KAT8 REGULATORY NSL COMPLEX SUBUNIT 2, WD REPEAT-CONTAINING PROTEIN 5
Authors:Dias, J, Brettschneider, J, Cusack, S, Kadlec, J.
Deposit date:2014-04-09
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
1UBD
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BU of 1ubd by Molmil
CO-CRYSTAL STRUCTURE OF HUMAN YY1 ZINC FINGER DOMAIN BOUND TO THE ADENO-ASSOCIATED VIRUS P5 INITIATOR ELEMENT
Descriptor: DNA (5'-D(*AP*GP*GP*GP*TP*CP*TP*CP*CP*AP*TP*TP*TP*TP*GP*AP*A P*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*CP*AP*AP*AP*AP*TP*GP*GP*AP*GP*AP*C P*CP*CP*T)-3'), PROTEIN (YY1 ZINC FINGER DOMAIN), ...
Authors:Houbaviy, H.B, Usheva, A, Shenk, T, Burley, S.K.
Deposit date:1996-10-04
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cocrystal structure of YY1 bound to the adeno-associated virus P5 initiator.
Proc.Natl.Acad.Sci.USA, 93, 1996

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