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2Y5K
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Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
分子名称: 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1
著者Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E.
登録日2011-01-14
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
3SK7
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BU of 3sk7 by Molmil
Crystal Structure of V. cholerae SeqA
分子名称: Protein SeqA
著者Chung, Y.S, Guarne, A.
登録日2011-06-22
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Investigating the aggregational property of SeqAvibrio in the absence of the oligomerization domain
To be Published
7KKU
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BU of 7kku by Molmil
X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD
分子名称: MANGANESE (III) ION, PHOSPHATE ION, Superoxide dismutase [Mn], ...
著者Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O.
登録日2020-10-28
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
7KKS
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BU of 7kks by Molmil
Neutron structure of Oxidized Human MnSOD
分子名称: MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial
著者Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O.
登録日2020-10-28
公開日2021-04-21
最終更新日2023-10-18
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
7KLB
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BU of 7klb by Molmil
X-ray Counterpart to Neutron Structure of Reduced Human MnSOD
分子名称: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O.
登録日2020-10-29
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
7KRN
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BU of 7krn by Molmil
Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KRP
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BU of 7krp by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KKW
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BU of 7kkw by Molmil
Neutron structure of Reduced Human MnSOD
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ...
著者Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O.
登録日2020-10-28
公開日2021-04-21
最終更新日2024-04-10
実験手法NEUTRON DIFFRACTION (2.3 Å)
主引用文献Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
7KRO
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BU of 7kro by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
8X7T
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BU of 8x7t by Molmil
MCM in the Apo state.
分子名称: mini-chromosome maintenance complex 3
著者Ma, J, Yi, G, Ye, M, MacGregor-Chatwin, C, Sheng, Y, Lu, Y, Li, M, Gilbert, R.J.C, Zhang, P.
登録日2023-11-25
公開日2024-01-17
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献MCM in the Apo state
To Be Published
1WLZ
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BU of 1wlz by Molmil
Crystal structure of DJBP fragment which was obtained by limited proteolysis
分子名称: CAP-binding protein complex interacting protein 1 isoform a
著者Honbou, K, Suzuki, N, Horiuchi, M, Taira, T, Niki, T, Ariga, H, Inagaki, F.
登録日2004-07-01
公開日2005-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of DJBP Fragment which was obtained by Limited Proteolysis
To be Published
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
4FL3
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BU of 4fl3 by Molmil
Structural and Biophysical Characterization of the Syk Activation Switch
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
著者Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
登録日2012-06-14
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
1WWL
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BU of 1wwl by Molmil
Crystal structure of CD14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Monocyte differentiation antigen CD14
著者Kim, J.-I, Lee, C.J, Jin, M.S, Lee, C.-H, Paik, S.-G, Lee, H, Lee, J.-O.
登録日2005-01-06
公開日2005-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of CD14 and Its Implications for Lipopolysaccharide Signaling
J.Biol.Chem., 280, 2005
7JQ9
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BU of 7jq9 by Molmil
Cryo-EM structure of human HUWE1
分子名称: E3 ubiquitin-protein ligase HUWE1
著者Hunkeler, M, Fischer, E.S.
登録日2020-08-10
公開日2021-07-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition.
Mol.Cell, 81, 2021
7JVX
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BU of 7jvx by Molmil
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-24
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
3VQ4
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BU of 3vq4 by Molmil
Fragments bound to HIV-1 integrase
分子名称: (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
1VQ8
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BU of 1vq8 by Molmil
The structure of CCDA-PHE-CAP-BIO and the antibiotic sparsomycin bound to the large ribosomal subunit of haloarcula marismortui
分子名称: 23S ribosomal rna, 5'-R(*CP*CP*(DA)*(PHE)*(ACA))-3', 50S RIBOSOMAL PROTEIN L10E, ...
著者Schmeing, T.M, Steitz, T.A.
登録日2004-12-16
公開日2005-11-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
8BJ6
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BU of 8bj6 by Molmil
Crystal structure of YopR
分子名称: SPbeta prophage-derived uncharacterized protein YopR
著者Gallego del Sol, F, Marina, A.
登録日2022-11-03
公開日2023-11-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
2Z4J
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BU of 2z4j by Molmil
Crystal structure of AR LBD with SHP peptide NR Box 2
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor 0B2
著者Jouravel, N, Fletterick, R.J.
登録日2007-06-19
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interaction between the androgen receptor and a segment of its corepressor SHP
Acta Crystallogr.,Sect.D, 63, 2007
3VQ6
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BU of 3vq6 by Molmil
HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
分子名称: (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
分子名称: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
著者Song, X.M, Greene, M.I, Zhou, Z.C.
登録日2012-11-21
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
1VQK
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BU of 1vqk by Molmil
The structure of CCDA-PHE-CAP-BIO bound to the a site of the ribosomal subunit of haloarcula marismortui
分子名称: 23S ribosomal rna, 5'-R(*CP*CP*(DA)*(PHE)*(ACA))-3', 50S RIBOSOMAL PROTEIN L10E, ...
著者Schmeing, T.M, Steitz, T.A.
登録日2004-12-16
公開日2005-11-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
6CBG
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BU of 6cbg by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5)
分子名称: 3-(1H-pyrazol-4-yl)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ...
著者Robertson, M.J, Krimmer, S.G, Jorgensen, W.L.
登録日2018-02-02
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
1VY6
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BU of 1vy6 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in the pre-attack state of peptide bond formation containing short substrate-mimic Cytidine-Puromycin in the A site and acylated tRNA in the P site.
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Polikanov, Y.S, Steitz, T.A, Innis, C.A.
登録日2014-05-13
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A proton wire to couple aminoacyl-tRNA accommodation and peptide-bond formation on the ribosome.
Nat.Struct.Mol.Biol., 21, 2014

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