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4QBZ
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BU of 4qbz by Molmil
Crystal structure of human TLR8 in complex with DS-802
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2014-05-09
Release date:2014-10-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds
J.Med.Chem., 57, 2014
4R6A
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BU of 4r6a by Molmil
Crystal structure of human TLR8 in complex with Hybrid-2
Descriptor: 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2014-08-22
Release date:2015-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes
To be Published
4UB8
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BU of 4ub8 by Molmil
Native structure of photosystem II (dataset-2) by a femtosecond X-ray laser
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
Deposit date:2014-08-12
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
4UB6
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BU of 4ub6 by Molmil
Native structure of photosystem II (dataset-1) by a femtosecond X-ray laser
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
Deposit date:2014-08-12
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
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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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
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
1J19
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BU of 1j19 by Molmil
Crystal structure of the radxin FERM domain complexed with the ICAM-2 cytoplasmic peptide
Descriptor: 16-mer peptide from Intercellular adhesion molecule-2, radixin
Authors:Hamada, K, Shimizu, T, Yonemura, S, Tsukita, S, Tsukita, S, Hakoshima, T.
Deposit date:2002-12-02
Release date:2003-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of adhesion-molecule recognition by ERM proteins revealed by the crystal structure of the radixin-ICAM-2 complex
EMBO J., 22, 2003
5DST
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BU of 5dst by Molmil
Crystal structure of human PRMT8 in complex with SAH
Descriptor: Protein arginine N-methyltransferase 8, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Toma-Fukai, S, Shimizu, T.
Deposit date:2015-09-17
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.963 Å)
Cite:Novel helical assembly in arginine methyltransferase 8
J.Mol.Biol., 428, 2016
8J6N
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BU of 8j6n by Molmil
Crystal structure of Cystathionine gamma-lyase in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ...
Authors:Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K.
Deposit date:2023-04-26
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
7VGS
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BU of 7vgs by Molmil
SARS-CoV-2 M protein dimer (short form) in complex with YN7717_9 Fab
Descriptor: Membrane protein, YN7717_9 Fab heavy chain, YN7717_9 Fab light chain
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2021-09-18
Release date:2022-08-03
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of SARS-CoV-2 membrane protein essential for virus assembly.
Nat Commun, 13, 2022
7VGR
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BU of 7vgr by Molmil
SARS-CoV-2 M protein dimer (long form) in complex with YN7756_1 Fab
Descriptor: Membrane protein, YN7756_1 Fab heavy chain, YN7756_1 Fab light chain
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2021-09-18
Release date:2022-08-03
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of SARS-CoV-2 membrane protein essential for virus assembly.
Nat Commun, 13, 2022
5GMF
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BU of 5gmf by Molmil
Crystal structure of monkey TLR7 in complex with guanosine and polyU
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2016-07-14
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
5GMG
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BU of 5gmg by Molmil
Crystal structure of monkey TLR7 in complex with loxoribine and polyU
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2016-07-14
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
5GMH
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BU of 5gmh by Molmil
Crystal structure of monkey TLR7 in complex with R848
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2016-07-14
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016
7WSI
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BU of 7wsi by Molmil
Cryo-EM structure of human NTCP (wild-type) complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-01-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
5H6K
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BU of 5h6k by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1
Descriptor: 1,2-ETHANEDIOL, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5H6N
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BU of 5h6n by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form
Descriptor: Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5H6L
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BU of 5h6l by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5H6M
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BU of 5h6m by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1
Descriptor: 1,2-ETHANEDIOL, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5H6J
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BU of 5h6j by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
7VAE
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BU of 7vae by Molmil
Cryo-EM structure of bovine NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAF
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BU of 7vaf by Molmil
Cryo-EM structure of Rat NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAD
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BU of 7vad by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAG
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BU of 7vag by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab in the presence of myristoylated preS1 peptide
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7YTP
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BU of 7ytp by Molmil
TLR7 in complex with an inhibitor
Descriptor: (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2022-08-15
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:TLR7 in complex with an inhibitor
To Be Published

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