Author results

1D3W
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CRYSTAL STRUCTURE OF FERREDOXIN 1 D15E MUTANT FROM AZOTOBACTER VINELANDII AT 1.7 ANGSTROM RESOLUTION.
Descriptor:FERREDOXIN 1, IRON/SULFUR CLUSTER, FE3-S4 CLUSTER
Authors:Chen, K., Hirst, J., Camba, R., Bonagura, C.A., Stout, C.D., Burges, B.K., Armstrong, F.A.
Deposit date:1999-10-01
Release date:1999-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atomically defined mechanism for proton transfer to a buried redox centre in a protein.
Nature, 405, 2000
1F5B
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CRYSTAL STRUCTURE OF F2H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION
Descriptor:FERREDOXIN 1, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
Authors:Chen, K., Bonagura, C.A., Tilley, G.J., Jung, Y.S., Armstrong, F.A., Stout, C.D., Burgess, B.K.
Deposit date:2000-06-13
Release date:2000-06-28
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential.
Nat.Struct.Biol., 9, 2002
1F5C
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CRYSTAL STRUCTURE OF F25H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION
Descriptor:FERREDOXIN 1, SULFATE ION, FE3-S4 CLUSTER, ...
Authors:Chen, K., Bonagura, C.A., Tilley, G.J., Jung, Y.S., Armstrong, F.A., Stout, C.D., Burgess, B.K.
Deposit date:2000-06-13
Release date:2000-06-28
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential.
Nat.Struct.Biol., 9, 2002
5AF0
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MAEL DOMAIN FROM BOMBYX MORI MAELSTROM
Descriptor:MAELSTROM, ZINC ION
Authors:Chen, K., Campbell, E., Pandey, R.R., Yang, Z., McCarthy, A.A., Pillai, R.S.
Deposit date:2015-01-13
Release date:2015-04-01
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Metazoan Maelstrom is an RNA-Binding Protein that Has Evolved from an Ancient Nuclease Active in Protists.
RNA, 21, 2015
5Y4D
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CRYSTAL STRUCTURE OF ANKB ANKYRIN REPEATS IN COMPLEX WITH ANKR/ANKB CHIMERIC AUTOINHIBITION SEGMENT
Descriptor:Ankyrin-1,Ankyrin-2,Ankyrin-2, SULFATE ION
Authors:Chen, K., Li, J., Wang, C., Wei, Z., Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
5Y4E
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CRYSTAL STRUCTURE OF ANKB ANKYRIN REPEATS R8-14 IN COMPLEX WITH AUTOINHIBITION SEGMENT AI-B
Descriptor:Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION
Authors:Chen, K., Li, J., Wang, C., Wei, Z., Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
5Y4F
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CRYSTAL STRUCTURE OF ANKB ANKYRIN REPEATS R13-24 IN COMPLEX WITH AUTOINHIBITION SEGMENT AI-C
Descriptor:Ankyrin-2, CALCIUM ION, ACETATE ION
Authors:Chen, K., Li, J., Wang, C., Wei, Z., Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
1B0V
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I40N MUTANT OF AZOTOBACTER VINELANDII FDI
Descriptor:PROTEIN (FERREDOXIN), IRON/SULFUR CLUSTER, 2,4,6,7-tetrathia-1$l^{3},3$l^{2},5$l^{3}-triferrabicyclo[3.1.1]heptane
Authors:Sridhar, V., Prasad, G.S., Stout, C.D., Chen, K., Burgess, B.K.
Deposit date:1998-11-12
Release date:2000-01-19
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I.
J.Biol.Chem., 274, 1999
4MSU
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HUMAN GKRP BOUND TO AMG-6861 AND SORBITOL-6-PHOSPHATE
Descriptor:Glucokinase regulatory protein, 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, ...
Authors:Ashton, K.S., Andrews, K.L., Bryan, M.C., Chen, J., Chen, K., Chen, M., Chmait, S., Croghan, M., Cupples, R., Fotsch, C., Helmering, J., Jordan, S.R., Kurzeja, R.J., Michelsen, K., Pennington, L.D., Poon, S.F., Sivits, G., Van, G., Vonderfecht, S.L., Wahl, R.C., Zhang, J., Lloyd, D.J., Hale, C., St Jean, D.J.
Deposit date:2013-09-18
Release date:2014-03-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
4FZ3
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CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH ACETYL P53 PEPTIDE COUPLED WITH 4-AMINO-7-METHYLCOUMARIN
Descriptor:NAD-dependent protein deacetylase sirtuin-3, mitochondrial, peptide from Cellular tumor antigen p53, ...
Authors:Liu, D., Wu, J., Zhang, D., Chen, K., Jiang, H., Liu, H.
Deposit date:2012-07-06
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
2OBO
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH476776
Descriptor:HCV NS3 protease, HCV NS4A peptide, ZINC ION, ...
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBQ
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DISCOVERY OF THE HCV NS3/4A PROTEASE INHIBITOR SCH503034. KEY STEPS IN STRUCTURE-BASED OPTIMIZATION
Descriptor:Hepatitis C virus, ZINC ION
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC0
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STRUCTURE OF NS3 COMPLEXED WITH A KETOAMIDE INHIBITOR SCH491762
Descriptor:Hepatitis C Virus, Hepatitis C virus, ZINC ION, ...
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC1
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STRUCTURE OF THE HCV NS3/4A PROTEASE INHIBITOR CVS4819
Descriptor:Hepatitis C virus, ZINC ION, (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
4P3N
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STRUCTURAL BASIS FOR FULL-SPECTRUM INHIBITION OF THREONYL-TRNA SYNTHETASE BY BORRELIDIN 1
Descriptor:Threonine--tRNA ligase, cytoplasmic, (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, ...
Authors:Fang, P., Yu, X., Chen, K., Chen, X., Guo, M.
Deposit date:2014-03-09
Release date:2015-03-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase.
Nat Commun, 6, 2015
4P3O
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STRUCTURAL BASIS FOR FULL-SPECTRUM INHIBITION OF THREONYL-TRNA SYNTHETASE BY BORRELIDIN 2
Descriptor:Threonine--tRNA ligase, ZINC ION, (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, ...
Authors:Fang, P., Yu, X., Chen, K., Chen, X., Guo, M.
Deposit date:2014-03-09
Release date:2015-03-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.505 Å)
Cite:Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase.
Nat Commun, 6, 2015
4P3P
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STRUCTURAL BASIS FOR FULL-SPECTRUM INHIBITION OF THREONYL-TRNA SYNTHETASE BY BORRELIDIN 3
Descriptor:Threonine--tRNA ligase, ZINC ION, (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, ...
Authors:Fang, P., Yu, X., Chen, K., Chen, X., Guo, M.
Deposit date:2014-03-09
Release date:2015-03-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase.
Nat Commun, 6, 2015
2OC7
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH571696
Descriptor:Hepatitis C Virus, ZINC ION, BETA-MERCAPTOETHANOL, ...
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OC8
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH503034
Descriptor:Hepatitis C virus, ZINC ION, BETA-MERCAPTOETHANOL, ...
Authors:Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers, J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R.S., Arasappan, A., Bennett, F., Bogen, S.L., Chen, K., Jao, E., Liu, Y.T., Lovey, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2A4G
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HEPATITIS C PROTEASE NS3-4A SERINE PROTEASE WITH KETOAMIDE INHIBITOR SCH225724 BOUND
Descriptor:NS3 protease/helicase, NS4a peptide, ZINC ION, ...
Authors:Arasappan, A., Njoroge, F.G., Chan, T.Y., Bennett, F., Bogen, S.L., Chen, K., Gu, H., Hong, L., Jao, E., Liu, Y.T., Lovey, R.G., Parekh, T., Pike, R.E., Pinto, P., Santhanam, B., Venkatraman, S., Vaccaro, H., Wang, H., Yang, X., Zhu, Z., Mckittrick, B., Saksena, A.K., Girijavallabhan, V., Pichardo, J., Butkiewicz, N., Ingram, R., Malcolm, B., Prongay, A.J., Yao, N., Marten, B., Madison, V., Kemp, S., Levy, O., Lim-Wilby, M., Tamura, S., Ganguly, A.K.
Deposit date:2005-06-28
Release date:2006-07-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
1B0T
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D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI
Descriptor:PROTEIN (FERREDOXIN I), IRON/SULFUR CLUSTER, FE3-S4 CLUSTER
Authors:Sridhar, V., Stout, C.D., Chen, K., Kemper, M.A., Burgess, B.K.
Deposit date:1998-11-12
Release date:1998-11-25
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the D15K/K84D Mutant of Azotobacter Vinelandii Ferredoxin I
To be Published
1Q05
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CRYSTAL STRUCTURE OF THE CU(I) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR
Descriptor:Transcriptional regulator cueR, COPPER (I) ION
Authors:Changela, A., Chen, K., Xue, Y., Holschen, J., Outten, C.E., O'Halloran, T.V., Mondragon, A.
Deposit date:2003-07-15
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
1Q06
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CRYSTAL STRUCTURE OF THE AG(I) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR
Descriptor:Transcriptional regulator cueR, SILVER ION
Authors:Changela, A., Chen, K., Xue, Y., Holschen, J., Outten, C.E., O'Halloran, T.V., Mondragon, A.
Deposit date:2003-07-15
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
1Q07
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CRYSTAL STRUCTURE OF THE AU(I) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR
Descriptor:Transcriptional regulator cueR, GOLD ION
Authors:Changela, A., Chen, K., Xue, Y., Holschen, J., Outten, C.E., O'Halloran, T.V., Mondragon, A.
Deposit date:2003-07-15
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
1Q08
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CRYSTAL STRUCTURE OF THE ZN(II) FORM OF E. COLI ZNTR, A ZINC-SENSING TRANSCRIPTIONAL REGULATOR, AT 1.9 A RESOLUTION (SPACE GROUP P212121)
Descriptor:Zn(II)-responsive regulator of zntA, PHOSPHATE ION, ZINC ION, ...
Authors:Changela, A., Chen, K., Xue, Y., Holschen, J., Outten, C.E., O'Halloran, T.V., Mondragon, A.
Deposit date:2003-07-15
Release date:2003-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003