Author results

6JID
  • Download 6jid
  • View 6jid
Molmil generated image of 6jid
HUMAN MTHFD2 IN COMPLEX WITH COMPOUND 1
Descriptor:Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, ...
Authors:Suzuki, M., Matsui, Y., Matsuhashi, N., Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6JIB
  • Download 6jib
  • View 6jib
Molmil generated image of 6jib
HUMAN MTHFD2 IN COMPLEX WITH DS44960156
Descriptor:Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, ...
Authors:Suzuki, M., Matsui, Y., Kawai, J.
Deposit date:2019-02-20
Release date:2019-06-05
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
6J81
  • Download 6j81
  • View 6j81
Molmil generated image of 6j81
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E14
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2019-01-18
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6J0O
  • Download 6j0o
  • View 6j0o
Molmil generated image of 6j0o
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND SC1
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, UNKNOWN ATOM OR ION
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-12-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6IF0
  • Download 6if0
  • View 6if0
Molmil generated image of 6if0
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND D16
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-09-18
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6IEZ
  • Download 6iez
  • View 6iez
Molmil generated image of 6iez
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND B16
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-09-18
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6AD9
  • Download 6ad9
  • View 6ad9
Molmil generated image of 6ad9
CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH DIBENZOOXEPINE DERIVATIVE COMPOUND-9
Descriptor:Peroxisome proliferator-activated receptor gamma, 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one
Authors:Takahashi, Y., Suzuki, M., Yamamoto, K., Saito, J.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
5ZYM
  • Download 5zym
  • View 5zym
Molmil generated image of 5zym
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E25B
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYL
  • Download 5zyl
  • View 5zyl
Molmil generated image of 5zyl
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E25A
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYK
  • Download 5zyk
  • View 5zyk
Molmil generated image of 5zyk
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E25
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYJ
  • Download 5zyj
  • View 5zyj
Molmil generated image of 5zyj
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E16A
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYI
  • Download 5zyi
  • View 5zyi
Molmil generated image of 5zyi
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E16
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYH
  • Download 5zyh
  • View 5zyh
Molmil generated image of 5zyh
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E5
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[3-~{tert}-butyl-5-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZYG
  • Download 5zyg
  • View 5zyg
Molmil generated image of 5zyg
CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND B5
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2018-05-25
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5ZG3
  • Download 5zg3
  • View 5zg3
Molmil generated image of 5zg3
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND TAK-137
Descriptor:Glutamate receptor 2, 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, GLUTAMIC ACID, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
  • Download 5zg2
  • View 5zg2
Molmil generated image of 5zg2
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH ZK200775 AND COMPOUND-2
Descriptor:Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
  • Download 5zg1
  • View 5zg1
Molmil generated image of 5zg1
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-2
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG0
  • Download 5zg0
  • View 5zg0
Molmil generated image of 5zg0
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-1
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, ZINC ION, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5YYR
  • Download 5yyr
  • View 5yyr
Molmil generated image of 5yyr
STRUCTURE K106A THAUMATIN
Descriptor:Preprothaumatin I, L(+)-TARTARIC ACID, GLYCEROL
Authors:Masuda, T., Kigo, S., Ohta, K., Mitsumoto, M., Mikami, B., Suzuki, M., Kitabatake, N., Tani, F.
Deposit date:2017-12-10
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor.
Front Mol Biosci, 5, 2018
5YYQ
  • Download 5yyq
  • View 5yyq
Molmil generated image of 5yyq
STRUCTURE K78A THAUMATIN
Descriptor:Preprothaumatin I, L(+)-TARTARIC ACID, GLYCEROL
Authors:Masuda, T., Kigo, S., Mitsumoto, M., Ohta, K., Suzuki, M., Mikami, B., Kitabatake, N., Tani, F.
Deposit date:2017-12-10
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor.
Front Mol Biosci, 5, 2018
5YYP
  • Download 5yyp
  • View 5yyp
Molmil generated image of 5yyp
STRUCTURE K137A THAUMATIN
Descriptor:Preprothaumatin I, L(+)-TARTARIC ACID, GLYCEROL
Authors:Masuda, T., Kigo, S., Mitsumoto, M., Ohta, K., Suzuki, M., Mikami, B., Kitabatake, N., Tani, F.
Deposit date:2017-12-10
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor.
Front Mol Biosci, 5, 2018
5Y5N
  • Download 5y5n
  • View 5y5n
Molmil generated image of 5y5n
CRYSTAL STRUCTURE OF HUMAN SIRTUIN 2 IN COMPLEX WITH A SELECTIVE INHIBITOR
Descriptor:NAD-dependent protein deacetylase sirtuin-2, ZINC ION, 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide
Authors:Mellini, P., Itoh, Y., Tsumoto, H., Li, Y., Suzuki, M., Tokuda, N., Kakizawa, T., Miura, Y., Takeuchi, J., Lahtela-Kakkonen, M., Suzuki, T.
Deposit date:2017-08-09
Release date:2017-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent Mechanism-Based Sirtuin-2-Selective Inhibition by an In-Situ-Generated Occupant of the "Selectivity Pocket", Substrate Binding Site, and NAD+ Binding Pocket
CHEM SCI, 8, 2017
5Y1A
  • Download 5y1a
  • View 5y1a
Molmil generated image of 5y1a
HBP35 OF PORPHYROMONAS GINGIVALIS
Descriptor:35 kDa hemin binding protein
Authors:Kakuda, S., Suzuki, M., Sato, K.
Deposit date:2017-07-20
Release date:2018-07-25
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Immunoglobulin-like domains of the cargo proteins are essential for protein stability during secretion by the type IX secretion system.
Mol. Microbiol., 110, 2018
5XFE
  • Download 5xfe
  • View 5xfe
Molmil generated image of 5xfe
LUCIFERIN-REGENERATING ENZYME SOLVED BY SAD USING XFEL (REFINED AGAINST 11,000 PATTERNS)
Descriptor:Luciferin regenerating enzyme, MERCURY (II) ION, MAGNESIUM ION, ...
Authors:Yamashita, K., Pan, D., Okuda, T., Murai, T., Kodan, A., Yamaguchi, T., Gomi, K., Kajiyama, N., Kato, H., Ago, H., Yamamoto, M., Nakatsu, T.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
5XFD
  • Download 5xfd
  • View 5xfd
Molmil generated image of 5xfd
SERIAL FEMTOSECOND X-RAY STRUCTURE OF AGROCYBE CYLINDRACEA GALECTIN WITH LACTOSE SOLVED BY SE-SAD USING XFEL (REFINED AGAINST 60,000 PATTERNS)
Descriptor:Galactoside-binding lectin, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, BETA-D-GALACTOSE, ...
Authors:Kuwabara, N., Fumiaki, Y., Kato, R.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017