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5GUX
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BU of 5gux by Molmil
Cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with xenon
分子名称: Antibody fab fragment heavy chain, Antibody fab fragment light chain, CALCIUM ION, ...
著者Ishii, S, Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T.
登録日2016-08-31
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Dynamics of nitric oxide controlled by protein complex in bacterial system.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GUW
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BU of 5guw by Molmil
Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa
分子名称: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T.
登録日2016-08-31
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dynamics of nitric oxide controlled by protein complex in bacterial system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7XMB
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BU of 7xmb by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
登録日2022-04-25
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMC
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BU of 7xmc by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7FEH
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BU of 7feh by Molmil
Crystal structure of human DDR1 in complex with CH5541127
分子名称: Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION
著者Fukami, T.A, Kadono, S, Matsuura, T.
登録日2021-07-20
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Novel potent and highly selective DDR1 inhibitors from integrated lead finding
Medicinal Chemistry Research, 32, 2023
3WFE
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BU of 3wfe by Molmil
Reduced and cyanide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
分子名称: CALCIUM ION, CYANIDE ION, FE (III) ION, ...
著者Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
登録日2013-07-18
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
7VPK
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BU of 7vpk by Molmil
Cryo-EM structure of the human ATP13A2 (SPM-bound E2P state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2021-10-17
公開日2021-12-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
7VPL
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BU of 7vpl by Molmil
Cryo-EM structure of the human ATP13A2 (SPM-bound E2Pi state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
著者Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2021-10-17
公開日2021-12-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
7VPI
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BU of 7vpi by Molmil
Cryo-EM structure of the human ATP13A2 (E1-ATP state)
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Polyamine-transporting ATPase 13A2
著者Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2021-10-17
公開日2021-12-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
7VPJ
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BU of 7vpj by Molmil
Cryo-EM structure of the human ATP13A2 (E1P-ADP state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2021-10-17
公開日2021-12-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
分子名称: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
分子名称: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VI0
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BU of 7vi0 by Molmil
Crystal structure of EP300 HAT domain in complex with compound 11
分子名称: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
3WFC
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BU of 3wfc by Molmil
Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
分子名称: CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ...
著者Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
登録日2013-07-18
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
3WFD
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BU of 3wfd by Molmil
Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
分子名称: (1E)-N-hydroxyethanimine, CALCIUM ION, FE (III) ION, ...
著者Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
登録日2013-07-18
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
2D6L
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BU of 2d6l by Molmil
Crystal structure of mouse galectin-9 N-terminal CRD (crystal form 2)
分子名称: lectin, galactose binding, soluble 9
著者Nagae, M, Nishi, N, Nakamura, T, Wakatsuki, S, Kato, R.
登録日2005-11-14
公開日2006-09-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition
J.Biol.Chem., 281, 2006
2D6M
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BU of 2d6m by Molmil
Crystal structure of mouse galectin-9 N-terminal CRD in complex with lactose
分子名称: beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, lectin, galactose binding, ...
著者Nagae, M, Nishi, N, Nakamura, T, Wakatsuki, S, Kato, R.
登録日2005-11-14
公開日2006-09-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Galectin-9 N-terminal Carbohydrate Recognition Domain from Mus musculus Reveals the Basic Mechanism of Carbohydrate Recognition
J.Biol.Chem., 281, 2006
7XRR
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BU of 7xrr by Molmil
Crystal structure of the human OX2R bound to the insomnia drug lemborexant.
分子名称: (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 2
著者Asada, H, Im, D, Iwata, S.
登録日2022-05-11
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor.
Structure, 30, 2022
2DRE
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BU of 2dre by Molmil
Crystal structure of Water-soluble chlorophyll protein from lepidium virginicum at 2.00 angstrom resolution
分子名称: CHLOROPHYLL A, Water-soluble chlorophyll protein
著者Horigome, D, Satoh, H, Itoh, N, Mitsunaga, K, Oonishi, I, Nakagawa, A, Uchida, A.
登録日2006-06-08
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural mechanism and photoprotective function of water-soluble chlorophyll-binding protein.
J.Biol.Chem., 282, 2007
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