7KW8
 
 | | NMR Structure of a tRNA 2'-phosphotransferase from Runella slithyformis | | Descriptor: | tRNA 2'-phosphotransferase | | Authors: | Alphonse, S, Dantuluri, S, Banerjee, A, Shuman, S, Ghose, R. | | Deposit date: | 2020-11-30 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution structures of Runella slithyformis RNA 2'-phosphotransferase Tpt1 provide insights into NAD+ binding and specificity.
Nucleic Acids Res., 49, 2021
|
|
1FJ5
 | | TAMOXIFEN-DNA ADDUCT | | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J. | | Deposit date: | 2000-08-07 | | Release date: | 2000-09-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove.
J.Mol.Biol., 302, 2000
|
|
1Y9H
 | | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
|
|
5OEK
 | | Putative active dimeric state of GHR transmembrane domain | | Descriptor: | Growth hormone receptor | | Authors: | Lesovoy, D.M, Bocharov, E.V, Bocharova, O.V, Urban, A.S, Arseniev, A.S. | | Deposit date: | 2017-07-08 | | Release date: | 2018-04-11 | | Last modified: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor.
Biochim. Biophys. Acta, 1862, 2018
|
|
5OHD
 | | Putative inactive (dormant) dimeric state of GHR transmembrane domain | | Descriptor: | Growth hormone receptor | | Authors: | Lesovoy, D.M, Bocharov, E.V, Bocharova, O.V, Urban, A.S, Arseniev, A.S. | | Deposit date: | 2017-07-15 | | Release date: | 2018-04-11 | | Last modified: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor.
Biochim. Biophys. Acta, 1862, 2018
|
|
5TO6
 | | Structure of the TPR oligomerization domain | | Descriptor: | Nucleoprotein TPR | | Authors: | Pal, K, Bandyopadhyay, A, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E. | | Deposit date: | 2016-10-16 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
|
|
1BE8
 | | TRANS-CINNAMOYL-SUBTILISIN IN WATER | | Descriptor: | CALCIUM ION, PHENYLETHYLENECARBOXYLIC ACID, SUBTILISIN CARLSBERG | | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | | Deposit date: | 1998-05-20 | | Release date: | 1998-10-28 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparison of x-ray crystal structures of an acyl-enzyme intermediate of subtilisin Carlsberg formed in anhydrous acetonitrile and in water.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
1BFU
 | | SUBTILISIN CARLSBERG IN 20% DIOXANE | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, SUBTILISIN CARLSBERG | | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | | Deposit date: | 1998-05-22 | | Release date: | 1998-10-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Organic solvent binding to crystalline subtilisin1 in mostly aqueous media and in the neat solvents.
Biochem.Biophys.Res.Commun., 248, 1998
|
|
1YQY
 | | Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor | | Descriptor: | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION | | Authors: | Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A. | | Deposit date: | 2005-02-02 | | Release date: | 2005-05-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anthrax lethal factor inhibition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1HWV
 | | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | | Deposit date: | 2001-01-10 | | Release date: | 2001-03-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
|
|
1HX4
 | | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | | Deposit date: | 2001-01-11 | | Release date: | 2001-03-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
|
|
1GUW
 | | STRUCTURE OF THE CHROMODOMAIN FROM MOUSE HP1beta IN COMPLEX WITH THE LYSINE 9-METHYL HISTONE H3 N-TERMINAL PEPTIDE, NMR, 25 STRUCTURES | | Descriptor: | CHROMOBOX PROTEIN HOMOLOG 1, HISTONE H3.1 | | Authors: | Nielsen, P.R, Nietlispach, D, Mott, H.R, Callaghan, J.M, Bannister, A, Kouzarides, T, Murzin, A.G, Murzina, N.V, Laue, E.D. | | Deposit date: | 2002-02-01 | | Release date: | 2002-03-12 | | Last modified: | 2018-01-17 | | Method: | SOLUTION NMR | | Cite: | Structure of the Hp1 Chromodomain Bound to Histone H3 Methylated at Lysine 9
Nature, 416, 2002
|
|
2YL6
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BETA-N-ACETYLHEXOSAMINIDASE, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
2YL9
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
3DCV
 | | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2YL8
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, BETA-N-ACETYLHEXOSAMINIDASE, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
2YL5
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, MAGNESIUM ION | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
1SCA
 | | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG | | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | | Deposit date: | 1993-07-19 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enzyme crystal structure in a neat organic solvent.
Proc.Natl.Acad.Sci.USA, 90, 1993
|
|
3RSM
 | | Crystal structure of S108C mutant of PMM/PGM | | Descriptor: | PHOSPHATE ION, Phosphomannomutase/phosphoglucomutase, ZINC ION | | Authors: | Akella, A, Anbanandam, A, Kelm, A, Wei, Y, Mehra-Chaudhary, R, Beamer, L, Van Doren, S. | | Deposit date: | 2011-05-02 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Solution NMR of a 463-residue phosphohexomutase: domain 4 mobility, substates, and phosphoryl transfer defect.
Biochemistry, 51, 2012
|
|
2YLA
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
1SCB
 | | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | | Descriptor: | ACETONITRILE, CALCIUM ION, SUBTILISIN CARLSBERG | | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | | Deposit date: | 1993-07-13 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzyme crystal structure in a neat organic solvent.
Proc.Natl.Acad.Sci.USA, 90, 1993
|
|
1AU8
 | | HUMAN CATHEPSIN G | | Descriptor: | CATHEPSIN G, N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-5-amino-1-phosphonopentyl]-L-prolinamide | | Authors: | Medrano, F.J, Bode, W, Banbula, A, Potempa, J. | | Deposit date: | 1997-09-12 | | Release date: | 1998-10-14 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HUMAN CATHEPSIN G
to be published
|
|
1PVH
 | | Crystal structure of leukemia inhibitory factor in complex with gp130 | | Descriptor: | IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor | | Authors: | Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C. | | Deposit date: | 2003-06-27 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130.
Mol.Cell, 12, 2003
|
|
1RRQ
 | | MutY adenine glycosylase in complex with DNA containing an A:oxoG pair | | Descriptor: | 5'-D(*TP*GP*TP*CP*CP*AP*AP*GP*TP*CP*T)-3', 5'-D(AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3', CALCIUM ION, ... | | Authors: | Fromme, J.C, Banerjee, A, Huang, S.J, Verdine, G.L. | | Deposit date: | 2003-12-08 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural basis for removal of adenine mispaired with 8-oxoguanine by MutY adenine DNA glycosylase
Nature, 427, 2004
|
|
4D08
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
|
|
