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7YQK
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BU of 7yqk by Molmil
cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1
Descriptor: DNA (145-MER), Histone H2AX, Histone H2B, ...
Authors:Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L.
Deposit date:2022-08-07
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes.
J.Am.Chem.Soc., 144, 2022
6DMM
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BU of 6dmm by Molmil
Crystal structure of the G23A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
7Z90
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BU of 7z90 by Molmil
Leishmania RNA virus 1 virion
Descriptor: Capsid protein,Major capsid protein
Authors:Prochazkova, M, Plevka, P.
Deposit date:2022-03-19
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Virion structure of Leishmania RNA virus 1.
Virology, 577, 2022
6LE4
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BU of 6le4 by Molmil
Crystal structure of cystathionine gamma-lyase from Lactobacillus plantarum complexed with cystathionine
Descriptor: (2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid, Cystathionine gamma-lyase, PHOSPHATE ION
Authors:Oda, K, Matoba, Y.
Deposit date:2019-11-24
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Catalytic specificity of the Lactobacillus plantarum cystathionine gamma-lyase presumed by the crystallographic analysis.
Sci Rep, 10, 2020
6DL4
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BU of 6dl4 by Molmil
Human Titin ZIg10
Descriptor: Titin
Authors:Wright, N.T.
Deposit date:2018-05-31
Release date:2019-08-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insights on the Obscurin-Binding Domains in Titin.
Protein Pept.Lett., 25, 2018
7ZG7
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BU of 7zg7 by Molmil
Structure of human Apoferritin obtained from ssDNA coated grid
Descriptor: Ferritin heavy chain, SODIUM ION, ZINC ION
Authors:Hrebik, D, Plevka, P.
Deposit date:2022-04-02
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (1.77 Å)
Cite:Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules.
Acta Crystallogr D Struct Biol, 78, 2022
6DN4
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BU of 6dn4 by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
Descriptor: Beta-lactamase
Authors:Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
Descriptor: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2018-06-07
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
4W4V
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BU of 4w4v by Molmil
JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
7Z1K
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BU of 7z1k by Molmil
Crystal structure of the SPOC domain of human SHARP (SPEN) in complex with RNA polymerase II CTD heptapeptide phosphorylated on Ser5
Descriptor: Msx2-interacting protein, SER-TYR-SER-PRO-THR-SEP
Authors:Appel, L, Grishkovskaya, I, Slade, D, Djinovic-Carugo, K.
Deposit date:2022-02-24
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The SPOC domain is a phosphoserine binding module that bridges transcription machinery with co- and post-transcriptional regulators.
Nat Commun, 14, 2023
4W4Y
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BU of 4w4y by Molmil
JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
4W5A
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BU of 4w5a by Molmil
Complex structure of ATRX ADD bound to H3K9me3S10ph peptide
Descriptor: Peptide from Histone H3.3, Transcriptional regulator ATRX, ZINC ION
Authors:Zhao, D, Xiang, B, Li, H.
Deposit date:2014-08-17
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ATRX tolerates activity-dependent histone H3 methyl/phos switching to maintain repetitive element silencing in neurons
Proc.Natl.Acad.Sci.USA, 112, 2015
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
4W65
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BU of 4w65 by Molmil
Crystal Structure of Glycosyl hydrolase family protein from Mycobacterium fortuitum
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-08-20
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Structure of Glycosyl hydrolase family protein (Rv0315 ortholog) from Mycobacterium fortuitum
TO BE PUBLISHED
6DQP
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BU of 6dqp by Molmil
Crystal structure of SsuE FMN reductase Delta118 mutant in apo form
Descriptor: FMN reductase (NADPH), GLYCEROL
Authors:McFarlane, J.S, Ellis, H.R, Lamb, A.L.
Deposit date:2018-06-11
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Not as easy as pi : An insertional residue does not explain the pi-helix gain-of-function in two-component FMN reductases.
Protein Sci., 28, 2019
7ZC0
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BU of 7zc0 by Molmil
4,6-alpha-glucanotransferase GtfC from Geobacillus 12AMOR1
Descriptor: 4,6-alpha-Glucanotransferase, CALCIUM ION, GLYCEROL
Authors:Pijning, T, Dijkhuizen, L, Guskov, A, te Poele, E.M.
Deposit date:2022-03-25
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of 4,6-alpha-Glucanotransferase GtfC-Delta C from Thermophilic Geobacillus 12AMOR1: Starch Transglycosylation in Non-Permuted GH70 Enzymes.
J.Agric.Food Chem., 70, 2022
6DDP
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BU of 6ddp by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
Descriptor: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DVL
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BU of 6dvl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-115
Descriptor: Hdac6 protein, N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
4W8F
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BU of 4w8f by Molmil
Crystal structure of the dynein motor domain in the AMPPNP-bound state
Descriptor: Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D.
Deposit date:2014-08-24
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.541 Å)
Cite:Allosteric communication in the Dynein motor domain.
Cell, 159, 2014
6DE5
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BU of 6de5 by Molmil
Mycobacterium tuberculosis Rv2671 complexed with beta-NADPH and 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, riboflavin biosynthesis protein RibD
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-11
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DVN
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BU of 6dvn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DEJ
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BU of 6dej by Molmil
The structure of HcRed7, a brighter and red-shifted HcRed variant
Descriptor: CHLORIDE ION, DODECAETHYLENE GLYCOL, GFP-like non-fluorescent chromoprotein, ...
Authors:Wannier, T.M, Mayo, S.L.
Deposit date:2018-05-12
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6279 Å)
Cite:Monomerization of far-red fluorescent proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7YWA
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BU of 7ywa by Molmil
Structure of DinI in complex with RecA filament
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), DNA damage-inducible protein I, MAGNESIUM ION, ...
Authors:Gao, B, Feng, Y.
Deposit date:2022-08-22
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for regulation of SOS response in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
6DW3
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BU of 6dw3 by Molmil
SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4UZX
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BU of 4uzx by Molmil
High-resolution NMR structures of the domains of Saccharomyces cerevisiae Tho1
Descriptor: PROTEIN THO1
Authors:Jacobsen, J.O.B, Allen, M.D, Freund, S.M.V, Bycroft, M.
Deposit date:2014-09-09
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High-Resolution NMR Structures of the Domains of Saccharomyces Cerevisiae Tho1.
Acta Crystallogr.,Sect.F, 72, 2016

222624

數據於2024-07-17公開中

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