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5XE8
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CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF STREPTOCOCCUS MUTANS COMA
Descriptor:Putative ABC transporter, ATP-binding protein ComA, DI(HYDROXYETHYL)ETHER
Authors:Ishii, S., Fukui, K., Yokoshima, S., Kumagai, K., Beniyama, Y., Kodama, T., Fukuyama, T., Okabe, T., Nagano, T., Kojima, H., Yano, T.
Deposit date:2017-04-03
Release date:2017-06-28
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
5XE9
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CRYSTAL STRUCTURE OF THE COMPLEX OF THE PEPTIDASE DOMAIN OF STREPTOCOCCUS MUTANS COMA WITH A SMALL MOLECULE INHIBITOR.
Descriptor:Putative ABC transporter, ATP-binding protein ComA, [(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate
Authors:Ishii, S., Fukui, K., Yokoshima, S., Kumagai, K., Beniyama, Y., Kodama, T., Fukuyama, T., Okabe, T., Nagano, T., Kojima, H., Yano, T.
Deposit date:2017-04-03
Release date:2017-06-28
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
4Y59
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CRYSTAL STRUCTURE OF ALIS1-STREPTAVIDIN COMPLEX
Descriptor:Streptavidin, 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one
Authors:Sugiyama, S., Terai, T., Kohno, M., Ishida, H., Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4Y5D
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CRYSTAL STRUCTURE OF ALIS2-STREPTAVIDIN COMPLEX
Descriptor:Streptavidin, methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Sugiyama, S., Terai, T., Kohno, M., Ishida, H., Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
3VGW
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CRYSTAL STRUCTURE OF MONOAC-BIOTIN-AVIDIN COMPLEX
Descriptor:Avidin, 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Terai, T., Maki, E., Sugiyama, S., Takahashi, Y., Matsumura, H., Mori, Y., Nagano, T.
Deposit date:2011-08-21
Release date:2011-12-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHH
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CRYSTAL STRUCTURE OF DIME-BIOTIN-AVIDIN COMPLEX
Descriptor:Avidin, 5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Terai, T., Maki, E., Sugiyama, S., Takahashi, Y., Matsumura, H., Mori, Y., Nagano, T.
Deposit date:2011-08-25
Release date:2011-12-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHI
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CRYSTAL STRUCTURE OF MONOZ-BIOTIN-AVIDIN COMPLEX
Descriptor:Avidin, 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Terai, T., Maki, E., Sugiyama, S., Takahashi, Y., Matsumura, H., Mori, Y., Nagano, T.
Deposit date:2011-08-25
Release date:2011-12-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHM
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CRYSTAL STRUCTURE OF NPC-BIOTIN-AVIDIN COMPLEX
Descriptor:Avidin, 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Terai, T., Maki, E., Sugiyama, S., Takahashi, Y., Matsumura, H., Mori, Y., Nagano, T.
Deposit date:2011-08-29
Release date:2011-12-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
4ZY3
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CRYSTAL STRUCTURE OF KEAP1 IN COMPLEX WITH A SMALL CHEMICAL COMPOUND, K67
Descriptor:Kelch-like ECH-associated protein 1, FORMIC ACID, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
Authors:Fukutomi, T., Iso, T., Suzuki, T., Takagi, K., Mizushima, T., Komatsu, M., Yamamoto, M.
Deposit date:2015-05-21
Release date:2016-05-25
Last modified:2016-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
4WUA
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CRYSTAL STRUCTURE OF HUMAN SRPK1 COMPLEXED TO AN INHIBITOR SRPIN340
Descriptor:SRSF protein kinase 1, linker, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, ...
Authors:Hoshina, M., Ikura, T., Hosoya, T., Hagiwara, M., Ito, N.
Deposit date:2014-10-31
Release date:2015-09-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Mol.Pharmacol., 88, 2015
5WQJ
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CRYSTAL STRUCTURE OF 3-MERCAPTOPYRUVATE SULFURTRANSFERASE(3MST) IN COMPLEX WITH COMPOUND1
Descriptor:Sulfurtransferase, 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION
Authors:Suwanai, Y., Toma-Fukai, S., Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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CRYSTAL STRUCTURE OF 3-MERCAPTOPYRUVATE SULFURTRANSFERASE(3MST) IN COMPLEX WITH COMPOUND1
Descriptor:Sulfurtransferase, 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION
Authors:Suwanai, Y., Toma-Fukai, S., Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
3UIX
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CRYSTAL STRUCTURE OF PIM1 KINASE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2011-11-06
Release date:2012-04-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel pim-1 kinase inhibitor targeting residues that bind the substrate Peptide.
J.Mol.Biol., 417, 2012
5B5F
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CRYSTAL STRUCTURE OF ALIS3-STREPTAVIDIN COMPLEX
Descriptor:Streptavidin, N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
Authors:Sugiyama, S., Terai, T., Kakinouchi, K., Fujikake, R., Nagano, T., Urano, Y.
Deposit date:2016-05-04
Release date:2017-03-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Chembiochem, 18, 2017
5B5G
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CRYSTAL STRUCTURE OF ALIS4-STREPTAVIDIN COMPLEX
Descriptor:Streptavidin, SULFITE ION, methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
Authors:Sugiyama, S., Terai, T., Kakinouchi, K., Fujikake, R., Nagano, T., Urano, Y.
Deposit date:2016-05-04
Release date:2017-03-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Chembiochem, 18, 2017
3UMW
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CRYSTAL STRUCTURE OF PIM1 KINASE IN COMPLEX WITH INHIBITOR (Z)-2-[(1H-INDAZOL-3-YL)METHYLENE]-6-METHOXY-7-(PIPERAZIN-1-YLMETHYL)BENZOFURAN-3(2H)-ONE
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, GLYCEROL, SULFATE ION, ...
Authors:Parker, L.J., Handa, N., Yokoyama, S.
Deposit date:2011-11-14
Release date:2012-10-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012
3UMX
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CRYSTAL STRUCTURE OF PIM1 KINASE IN COMPLEX WITH INHIBITOR (Z)-2-[(1H-INDOL-3-YL)METHYLENE]-7-(AZEPAN-1-YLMETHYL)-6-HYDROXYBENZOFURAN-3(2H)-ONE
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, SULFATE ION
Authors:Parker, L.J., Handa, N., Yokoyama, S.
Deposit date:2011-11-15
Release date:2012-08-08
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
3WAV
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CRYSTAL STRUCTURE OF AUTOTAXIN IN COMPLEX WITH COMPOUND 10
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Nishimasu, H., Ishitani, R., Nureki, O.
Deposit date:2013-05-09
Release date:2013-07-31
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAW
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CRYSTAL STRUCTURE OF AUTOTAXIN IN COMPLEX WITH 2BOA
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Nishimasu, H., Ishitani, R., Nureki, O.
Deposit date:2013-05-09
Release date:2013-07-31
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAX
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CRYSTAL STRUCTURE OF AUTOTAXIN IN COMPLEX WITH 3BOA
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Nishimasu, H., Ishitani, R., Nureki, O.
Deposit date:2013-05-09
Release date:2013-07-31
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAY
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CRYSTAL STRUCTURE OF AUTOTAXIN IN COMPLEX WITH 4BOA
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Nishimasu, H., Ishitani, R., Nureki, O.
Deposit date:2013-05-09
Release date:2013-07-31
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
4ENX
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CRYSTAL STRUCTURE OF PIM-1 KINASE IN COMPLEX WITH INHIBITOR (2E,5Z)-2-(2-CHLOROPHENYLIMINO)-5-(4-HYDROXY-3-NITROBENZYLIDENE)THIAZOLIDIN-4-ONE
Descriptor:Serine/threonine-protein kinase pim-1, PHOSPHATE ION, (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
Authors:Parker, L.J., Handa, N., Yokoyama, S.
Deposit date:2012-04-13
Release date:2012-08-08
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
4ENY
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CRYSTAL STRUCTURE OF PIM-1 KINASE IN COMPLEX WITH (2E,5Z)-2-(2-CHLOROPHENYLIMINO)-5-(4-HYDROXY-3-METHOXYBENZYLIDENE)THIAZOLIDIN-4-ONE
Descriptor:Serine/threonine-protein kinase pim-1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Parker, L.J., Handa, N., Yokoyama, S.
Deposit date:2012-04-13
Release date:2012-08-08
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012