2Y5K
 
 | | Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | | Descriptor: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1 | | Authors: | 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. | | Deposit date: | 2011-01-14 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
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3SK7
 | | Crystal Structure of V. cholerae SeqA | | Descriptor: | Protein SeqA | | Authors: | Chung, Y.S, Guarne, A. | | Deposit date: | 2011-06-22 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Investigating the aggregational property of SeqAvibrio in the absence of the oligomerization domain
To be Published
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7KKU
 | | X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD | | Descriptor: | MANGANESE (III) ION, PHOSPHATE ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-28 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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7KKS
 | | Neutron structure of Oxidized Human MnSOD | | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-28 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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7KLB
 | | X-ray Counterpart to Neutron Structure of Reduced Human MnSOD | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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7KRN
 | | Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KRP
 | | Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KKW
 | | Neutron structure of Reduced Human MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-28 | | Release date: | 2021-04-21 | | Last modified: | 2024-04-10 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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7KRO
 | | Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8X7T
 | | MCM in the Apo state. | | Descriptor: | mini-chromosome maintenance complex 3 | | Authors: | Ma, J, Yi, G, Ye, M, MacGregor-Chatwin, C, Sheng, Y, Lu, Y, Li, M, Gilbert, R.J.C, Zhang, P. | | Deposit date: | 2023-11-25 | | Release date: | 2024-01-17 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | MCM in the Apo state
To Be Published
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1WLZ
 | | Crystal structure of DJBP fragment which was obtained by limited proteolysis | | Descriptor: | CAP-binding protein complex interacting protein 1 isoform a | | Authors: | Honbou, K, Suzuki, N, Horiuchi, M, Taira, T, Niki, T, Ariga, H, Inagaki, F. | | Deposit date: | 2004-07-01 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of DJBP Fragment which was obtained by Limited Proteolysis
To be Published
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 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 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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
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4FL3
 | | Structural and Biophysical Characterization of the Syk Activation Switch | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | | Authors: | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | | Deposit date: | 2012-06-14 | | Release date: | 2012-11-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
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1WWL
 | | Crystal structure of CD14 | | Descriptor: | 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 | | Authors: | Kim, J.-I, Lee, C.J, Jin, M.S, Lee, C.-H, Paik, S.-G, Lee, H, Lee, J.-O. | | Deposit date: | 2005-01-06 | | Release date: | 2005-02-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of CD14 and Its Implications for Lipopolysaccharide Signaling
J.Biol.Chem., 280, 2005
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7JQ9
 | | Cryo-EM structure of human HUWE1 | | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2020-08-10 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition.
Mol.Cell, 81, 2021
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7JVX
 | | Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED) | | Descriptor: | PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | | Deposit date: | 2020-08-24 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
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3VQ4
 | | Fragments bound to HIV-1 integrase | | Descriptor: | (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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1VQ8
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8BJ6
 | | Crystal structure of YopR | | Descriptor: | SPbeta prophage-derived uncharacterized protein YopR | | Authors: | Gallego del Sol, F, Marina, A. | | Deposit date: | 2022-11-03 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
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2Z4J
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3VQ6
 | | HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | | Descriptor: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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4I1L
 | | Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function | | Descriptor: | ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ... | | Authors: | Song, X.M, Greene, M.I, Zhou, Z.C. | | Deposit date: | 2012-11-21 | | Release date: | 2012-12-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
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1VQK
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6CBG
 | | Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5) | | Descriptor: | 3-(1H-pyrazol-4-yl)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ... | | Authors: | Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. | | Deposit date: | 2018-02-02 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
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1VY6
 | | 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. | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Polikanov, Y.S, Steitz, T.A, Innis, C.A. | | Deposit date: | 2014-05-13 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 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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