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6FI0
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BU of 6fi0 by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19
Descriptor: 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
4DLJ
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BU of 4dlj by Molmil
Human p38 MAP kinase in complex with RL163
Descriptor: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Gruetter, C, Termathe, M.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
6FG6
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BU of 6fg6 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGH
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BU of 6fgh by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1
Descriptor: 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGL
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BU of 6fgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
Authors:Dalle Vedove, A, Unzue, A, Nevado, C, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
4DOM
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BU of 4dom by Molmil
Crystal Structure of the TIR-domain of Human Myeloid Differentiation Primary Response protein (MyD88)
Descriptor: Myeloid differentiation primary response protein MyD88
Authors:Jiang, J.S, Snyder, G.A, Xiao, T.
Deposit date:2012-02-09
Release date:2013-04-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 110, 2013
6FHU
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BU of 6fhu by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide
Descriptor: ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FF4
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BU of 6ff4 by Molmil
human Bact spliceosome core structure
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
Authors:Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H.
Deposit date:2018-01-03
Release date:2018-08-29
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and Conformational Dynamics of the Human Spliceosomal BactComplex.
Cell, 172, 2018
4DVI
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BU of 4dvi by Molmil
Crystal structure of Tankyrase 1 with IWR2
Descriptor: 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2012-02-23
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel binding mode of a potent and selective tankyrase inhibitor.
Plos One, 7, 2012
6FGG
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BU of 6fgg by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGW
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BU of 6fgw by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4
Descriptor: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
4DZP
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BU of 4dzp by Molmil
Crystal structure of the terminase small subunit gp1 with R48A mutation of the bacterial virus sf6
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-03-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
5XV6
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BU of 5xv6 by Molmil
Crystal structure of ATG101-ATG13HORMA
Descriptor: Autophagy-related protein 101, Autophagy-related protein 13
Authors:Kim, B.-W, Song, H.K.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Autophagy, 14, 2018
3GS2
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BU of 3gs2 by Molmil
Ring1B C-terminal domain/Cbx7 Cbox Complex
Descriptor: Chromobox protein homolog 7, E3 ubiquitin-protein ligase RING2, SULFATE ION, ...
Authors:Wang, R, Taylor, A.B, Kim, C.A.
Deposit date:2009-03-26
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Polycomb Group Targeting through Different Binding Partners of RING1B C-Terminal Domain.
Structure, 18, 2010
5XV4
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BU of 5xv4 by Molmil
Crystal structure of ATG101-ATG13HORMA
Descriptor: Autophagy-related protein 101, Autophagy-related protein 13
Authors:Kim, B.-W, Song, H.K.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Autophagy, 14, 2018
4DK9
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BU of 4dk9 by Molmil
Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA
Descriptor: 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ...
Authors:Manvilla, B.A, Toth, E.A, Drohat, A.C.
Deposit date:2012-02-03
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA.
J.Mol.Biol., 420, 2012
4DLI
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BU of 4dli by Molmil
Human p38 MAP kinase in complex with RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Gruetter, C, Getlik, M, Simard, J.R, Rauh, D.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
5XXI
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BU of 5xxi by Molmil
Crystal structure of CYP2C9 in complex with multiple losartan molecules
Descriptor: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Maekawa, K, Adachi, M, Shah, M.B.
Deposit date:2017-07-04
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
6G5I
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BU of 6g5i by Molmil
Cryo-EM structure of a late human pre-40S ribosomal subunit - State R
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2018-03-29
Release date:2018-06-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
6G6Z
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BU of 6g6z by Molmil
Eg5-inhibitor complex
Descriptor: (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Talapatra, S.K, Kozielski, F, Tham, C.L.
Deposit date:2018-04-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Eur J Med Chem, 156, 2018
6G9Z
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BU of 6g9z by Molmil
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) crystallized at P212121 space group, with visible extended fragment of N-terminus
Descriptor: (2S)-2-hydroxybutanedioic acid, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Seda, A, Nawrot, B.C.
Deposit date:2018-04-11
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Differences in crystal packing as the key factor for stabilization of the N-terminal fragment of hHINT1 protein
To Be Published
6FTB
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BU of 6ftb by Molmil
Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin
Descriptor: (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ...
Authors:Punekar, A.S, Dowson, C.J, Roper, D.I.
Deposit date:2018-02-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Cell Surf, 2, 2018
6APM
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BU of 6apm by Molmil
Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation
Descriptor: Lysozyme C, SODIUM ION
Authors:Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Soltis, S.M, Cohen, A.E.
Deposit date:2017-08-17
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
6H7X
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BU of 6h7x by Molmil
First X-ray structure of full-length human RuvB-Like 2.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Silva, S, Brito, J.A, Matias, P, Bandeiras, T.
Deposit date:2018-07-31
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018

223532

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