Author results

1HHV
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SOLUTION STRUCTURE OF VIRUS CHEMOKINE VMIP-II
Descriptor:VIRUS CHEMOKINE VMIP-II
Authors:Shao, W., Fernandez, E., Navenot, J.M., Wilken, J., Thompson, D.A., Pepiper, S., Schweitzer, B.I., Lolis, E.
Deposit date:1998-12-06
Release date:2003-09-16
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:CCR2 and CCR5 receptor-binding properties of herpesvirus-8 vMIP-II based on sequence analysis and its solution structure
Eur.J.Biochem., 268, 2001
1MI2
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SOLUTION STRUCTURE OF MURINE MACROPHAGE INFLAMMATORY PROTEIN-2, NMR, 20 STRUCTURES
Descriptor:MACROPHAGE INFLAMMATORY PROTEIN-2
Authors:Shao, W., Jerva, L.F., West, J., Lolis, E., Schweitzer, B.I.
Deposit date:1997-10-24
Release date:1998-04-29
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of murine macrophage inflammatory protein-2.
Biochemistry, 37, 1998
3VST
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THE COMPLEX STRUCTURE OF XYLC WITH TRIS
Descriptor:Xylosidase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Huang, C.H., Sun, Y., Ko, T.P., Ma, Y., Chen, C.C., Zheng, Y., Chan, H.C., Pang, X., Wiegel, J., Shao, W., Guo, R.T.
Deposit date:2012-05-09
Release date:2013-02-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
3VSU
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THE COMPLEX STRUCTURE OF XYLC WITH XYLOBIOSE
Descriptor:Xylosidase, 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose
Authors:Huang, C.H., Sun, Y., Ko, T.P., Ma, Y., Chen, C.C., Zheng, Y., Chan, H.C., Pang, X., Wiegel, J., Shao, W., Guo, R.T.
Deposit date:2012-05-09
Release date:2013-02-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
3VSV
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THE COMPLEX STRUCTURE OF XYLC WITH XYLOSE
Descriptor:Xylosidase, BETA-D-XYLOPYRANOSE, XYLOPYRANOSE
Authors:Huang, C.H., Sun, Y., Ko, T.P., Ma, Y., Chen, C.C., Zheng, Y., Chan, H.C., Pang, X., Wiegel, J., Shao, W., Guo, R.T.
Deposit date:2012-05-09
Release date:2013-02-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
6GQJ
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 18)
Descriptor:Mast/stem cell growth factor receptor Kit, 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQK
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 23)
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQL
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 35)
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQM
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR, AZD3229
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide, CHLORIDE ION
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQO
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 18)
Descriptor:Vascular endothelial growth factor receptor 2, 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
Authors:Ogg, D.J., Schimpl, M., Hardy, C.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQP
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 23)
Descriptor:Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Hardy, C.J., Schimpl, M., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQQ
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 35)
Descriptor:Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
3W24
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485
Descriptor:Glycoside hydrolase family 10
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
3W25
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485/: THE COMPLEX OF THE E146A MUTANT WITH XYLOBIOSE
Descriptor:Glycoside hydrolase family 10, BETA-D-XYLOPYRANOSE
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
3W26
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485/: THE COMPLEX OF THE E146A MUTANT WITH XYLOTRIOSE
Descriptor:Glycoside hydrolase family 10, BETA-D-XYLOPYRANOSE
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
3W27
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485/: THE COMPLEX OF THE E251A MUTANT WITH XYLOBIOSE
Descriptor:Glycoside hydrolase family 10, BETA-D-XYLOPYRANOSE, XYLOPYRANOSE
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
3W28
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485/: THE COMPLEX OF THE E251A MUTANT WITH XYLOTRIOSE
Descriptor:Glycoside hydrolase family 10, BETA-D-XYLOPYRANOSE, XYLOPYRANOSE
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
3W29
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THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLULAR XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-YS485/: THE COMPLEX OF THE E251A MUTANT WITH XYLOTETRAOSE
Descriptor:Glycoside hydrolase family 10, BETA-D-XYLOPYRANOSE, XYLOPYRANOSE
Authors:Han, X., Gao, J., Shang, N., Huang, C.-H., Ko, T.-P., Zhu, Z., Wiegel, J., Shao, W., Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
5GPD
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CRYSTAL STRUCTURE OF THE BINDING DOMAIN OF SREBP FROM FISSION YEAST
Descriptor:Sterol regulatory element-binding protein 1
Authors:Gong, X., Qian, H.W., Wu, J.P., Yan, N.
Deposit date:2016-08-01
Release date:2016-11-23
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
5GRS
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COMPLEX STRUCTURE OF THE FISSION YEAST SREBP-SCAP BINDING DOMAINS
Descriptor:Sterol regulatory element-binding protein cleavage-activating protein, Sterol regulatory element-binding protein 1
Authors:Gong, X., Qian, H.W., Wu, J.P., Yan, N.
Deposit date:2016-08-12
Release date:2016-12-14
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
3SFF
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CRYSTAL STRUCTURE OF HUMAN HDAC8 INHIBITOR COMPLEX, AN AMINO ACID DERIVED INHIBITOR
Descriptor:Histone deacetylase 8, (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, POTASSIUM ION, ...
Authors:Stams, T., Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3SFH
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CRYSTAL STRUCTURE OF HUMAN HDAC8 INHIBITOR COMPLEX, AN AMINO ACID DERIVED INHIBITOR
Descriptor:Histone deacetylase 8, POTASSIUM ION, ZINC ION, ...
Authors:Stams, T., Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3UDD
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TANKYRASE-1 IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:Tankyrase-1, ZINC ION, 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole, ...
Authors:Kirby, C.A., Stams, T.
Deposit date:2011-10-28
Release date:2012-02-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:[1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding.
J.Med.Chem., 55, 2012
3WG9
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CRYSTAL STRUCTURE OF RSP, A REX-FAMILY REPRESSOR
Descriptor:Redox-sensing transcriptional repressor rex, SULFATE ION
Authors:Zheng, Y., Ko, T.-P., Guo, R.-T.
Deposit date:2013-08-03
Release date:2014-08-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes
J.Struct.Biol., 188, 2014
3WGG
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CRYSTAL STRUCTURE OF RSP IN COMPLEX WITH ALPHA-NAD+
Descriptor:Redox-sensing transcriptional repressor rex, alpha-Diphosphopyridine nucleotide, SULFATE ION
Authors:Zheng, Y., Ko, T.-P., Guo, R.-T.
Deposit date:2013-08-05
Release date:2014-08-13
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding mode of the oxidized alpha-anomer of NAD(+) to RSP, a Rex-family repressor
Biochem.Biophys.Res.Commun., 456, 2015
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