Author results

1G5S
  • Download 1g5s
  • View 1g5s
Molmil generated image of 1g5s
CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717
Descriptor:CELL DIVISION PROTEIN KINASE 2, 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
Authors:Dreyer, M.K., Borcherding, D.R., Dumont, J.A., Peet, N.P., Tsay, J.T., Wright, P.S., Bitonti, A.J., Shen, J., Kim, S.-H.
Deposit date:2000-11-02
Release date:2001-11-02
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717.
J.Med.Chem., 44, 2001
1IY9
  • Download 1iy9
  • View 1iy9
Molmil generated image of 1iy9
CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE
Descriptor:Spermidine synthase
Authors:Tan, A.Y., Smith, P.C., Shen, J., Xiao, R., Acton, T., Rost, B., Montelione, G., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-07-26
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of spermidine synthase
To be Published
1LUR
  • Download 1lur
  • View 1lur
Molmil generated image of 1lur
CRYSTAL STRUCTURE OF THE GALM/ALDOSE EPIMERASE HOMOLOGUE FROM C. ELEGANS, NORTHEAST STRUCTURAL GENOMICS TARGET WR66
Descriptor:aldose 1-epimerase, SULFATE ION
Authors:Keller, J.P., Xiao, R., MacDonald, L., Shen, J., Acton, T., Montelione, G., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-05-23
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the GalM/aldose Epimerase Homologue from C. elegans, Northeast Structural Genomics Target WR66
TO BE PUBLISHED
1M1S
  • Download 1m1s
  • View 1m1s
Molmil generated image of 1m1s
STRUCTURE OF WR4, A C.ELEGANS MSP FAMILY MEMBER
Descriptor:WR4
Authors:Karpowich, N., Smith, P., Shen, J., Hunt, J., Montelione, G., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-06-20
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a C.elegans MSP family member
To be Published
1MW7
  • Download 1mw7
  • View 1mw7
Molmil generated image of 1mw7
X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6
Descriptor:HYPOTHETICAL PROTEIN HP0162
Authors:Kuzin, A., Shen, J., Keller, J.P., Xiao, R., Rost, B., Montelione, G., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-09-27
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6
To be published
1MZH
  • Download 1mzh
  • View 1mzh
Molmil generated image of 1mzh
QR15, AN ALDOLASE
Descriptor:Deoxyribose-phosphate aldolase, PHOSPHATE ION
Authors:Tan, A.Y., Smith, P.C., Shen, J., Xiao, R., Acton, T., Rost, B., Montelione, G., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-10-07
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Aquifex Aeolicus Aldolase, Northeast Structural Genomics Consortium Target QR15
To be Published
1NS5
  • Download 1ns5
  • View 1ns5
Molmil generated image of 1ns5
X-RAY STRUCTURE OF YBEA FROM E.COLI. NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER45
Descriptor:Hypothetical protein ybeA
Authors:Benach, J., Shen, J., Rost, B., Xiao, R., Acton, T., Montelione, G., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-01-27
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of YBEA from E. coli
To be Published
1NXZ
  • Download 1nxz
  • View 1nxz
Molmil generated image of 1nxz
X-RAY CRYSTAL STRUCTURE OF PROTEIN YGGJ_HAEIN OF HAEMOPHILUS INFLUENZAE. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET IR73.
Descriptor:Hypothetical protein HI0303
Authors:Forouhar, F., Shen, J., Xiao, R., Acton, T.B., Rost, B., Montelione, G.T., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-11
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot.
Proteins, 53, 2003
1ON0
  • Download 1on0
  • View 1on0
Molmil generated image of 1on0
CRYSTAL STRUCTURE OF PUTATIVE ACETYLTRANSFERASE (YYCN) FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR144
Descriptor:YycN protein, SULFATE ION, CHLORIDE ION
Authors:Forouhar, F., Shen, J., Kuzin, A., Chiang, Y., Xiao, R., Acton, T.B., Rost, B., Montelione, G.T., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-26
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis
To be Published
1T5I
  • Download 1t5i
  • View 1t5i
Molmil generated image of 1t5i
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF UAP56
Descriptor:C_TERMINAL DOMAIN OF A PROBABLE ATP-DEPENDENT RNA HELICASE
Authors:Zhao, R., Green, M.R., Shen, J.
Deposit date:2004-05-04
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of UAP56, a "DEXD/H-box" protein involved in pre-mRNA splicing and mRNA export
Structure, 12, 2004
1T6N
  • Download 1t6n
  • View 1t6n
Molmil generated image of 1t6n
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN UAP56
Descriptor:Probable ATP-dependent RNA helicase, CITRATE ANION
Authors:Zhao, R.
Deposit date:2004-05-06
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of UAP56, a DExD/H-Box Protein Involved in Pre-mRNA Splicing and mRNA Export
Structure, 12, 2004
1TIQ
  • Download 1tiq
  • View 1tiq
Molmil generated image of 1tiq
CRYSTAL STRUCTURE OF AN ACETYLTRANSFERASE (PAIA) IN COMPLEX WITH COA AND DTT FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMICS TARGET SR64.
Descriptor:Protease synthase and sporulation negative regulatory protein PAI 1, COENZYME A, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Forouhar, F., Lee, I., Shen, J., Vorobiev, S.M., Xiao, R., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-02
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional evidence for Bacillus subtilis PaiA as a novel N1-spermidine/spermine acetyltransferase.
J.Biol.Chem., 280, 2005
2A9H
  • Download 2a9h
  • View 2a9h
Molmil generated image of 2a9h
NMR STRUCTURAL STUDIES OF A POTASSIUM CHANNEL / CHARYBDOTOXIN COMPLEX
Descriptor:Voltage-gated potassium channel, charybdotoxin
Authors:Yu, L., Sun, C., Song, D., Shen, J., Xu, N., Gunasekera, A., Hajduk, P.J., Olejniczak, E.T.
Deposit date:2005-07-11
Release date:2006-01-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
2BX3
  • Download 2bx3
  • View 2bx3
Molmil generated image of 2bx3
CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P43212)
Descriptor:MAIN PROTEINASE
Authors:Verschueren, K.H.G., Mesters, J.R., Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX4
  • Download 2bx4
  • View 2bx4
Molmil generated image of 2bx4
CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P21212)
Descriptor:3C-LIKE PROTEINASE
Authors:Verschueren, K.H.G., Mesters, J.R., Bigalke, J., Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2GSW
  • Download 2gsw
  • View 2gsw
Molmil generated image of 2gsw
CRYSTAL STRUCTURE OF THE PUTATIVE NADPH-DEPENDENT AZOBENZENE FMN-REDUCTASE YHDA FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL GENOMICS TARGET SR135
Descriptor:yhdA, FLAVIN MONONUCLEOTIDE
Authors:Forouhar, F., Hussain, M., Jayaraman, S., Shen, J., Cooper, B., Cunningham, K., Janjua, H., Ma, L.-C., Xiao, R., Acton, T.B., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-26
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135
To be Published
2LGG
  • Download 2lgg
  • View 2lgg
Molmil generated image of 2lgg
STRUCTURE OF PHD DOMAIN OF UHRF1 IN COMPLEX WITH H3 PEPTIDE
Descriptor:E3 ubiquitin-protein ligase UHRF1, histone H3 peptide, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-26
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGK
  • Download 2lgk
  • View 2lgk
Molmil generated image of 2lgk
NMR STRUCTURE OF UHRF1 PHD DOMAINS IN A COMPLEX WITH HISTONE H3 PEPTIDE
Descriptor:E3 ubiquitin-protein ligase UHRF1, histone H3 peptide, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGL
  • Download 2lgl
  • View 2lgl
Molmil generated image of 2lgl
NMR STRUCTURE OF THE UHRF1 PHD DOMAIN
Descriptor:E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LUH
  • Download 2luh
  • View 2luh
Molmil generated image of 2luh
NMR STRUCTURE OF THE VTA1-VPS60 COMPLEX
Descriptor:Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60
Authors:Yang, Z., Vild, C., Ju, J., Zhang, X., Liu, J., Shen, J., Zhao, B., Lan, W., Gong, F., Liu, M., Cao, C., Xu, Z.
Deposit date:2012-06-13
Release date:2012-11-07
Last modified:2013-01-09
Method:SOLUTION NMR
Cite:Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway.
J.Biol.Chem., 287, 2012
2NSK
  • Download 2nsk
  • View 2nsk
Molmil generated image of 2nsk
DOUBLED MODIFIED SELENIUM DNA
Descriptor:5'-D(*GP*(UMS)P*GP*(T4S)P*AP*CP*AP*C)-3'
Authors:Jiang, J., Shen, J., Huang, Z.
Deposit date:2006-11-04
Release date:2006-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Double Modified Selinium DNA [G(Use)G(Tse)ACAC]
To be Published
2P87
  • Download 2p87
  • View 2p87
Molmil generated image of 2p87
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF C. ELEGANS PRE-MRNA SPLICING FACTOR PRP8
Descriptor:Pre-mRNA-splicing factor Prp8
Authors:Zhang, L., Shen, J., Guarnieri, M.T., Heroux, A., Yang, K., Zhao, R.
Deposit date:2007-03-21
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
2P8R
  • Download 2p8r
  • View 2p8r
Molmil generated image of 2p8r
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF C. ELEGANS PRE-MRNA SPLICING FACTOR PRP8 CARRYING R2303K MUTANT
Descriptor:Pre-mRNA-splicing factor Prp8
Authors:Zhang, L., Shen, J., Guarnieri, M.T., Heroux, A., Yang, K., Zhao, R.
Deposit date:2007-03-22
Release date:2007-05-22
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
2PE0
  • Download 2pe0
  • View 2pe0
Molmil generated image of 2pe0
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-HYDROXY-3-[1-(1H-PYRROL-2-YL)-ETH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE COMPLEX
Descriptor:3-phosphoinositide-dependent protein kinase 1, SULFATE ION, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, ...
Authors:Whitlow, M., Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
  • Download 2pe1
  • View 2pe1
Molmil generated image of 2pe1
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-OXO-3-[1-(1H-PYRROL-2-YL)-ETH-(Z)-YLIDENE]-2,3-DIHYDRO-1H-INDOL-5-YL}-UREA {BX-517} COMPLEX
Descriptor:3-phosphoinositide-dependent protein kinase 1, SULFATE ION, 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, ...
Authors:Whitlow, M., Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007