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5ZHP
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M3 muscarinic acetylcholine receptor in complex with a selective antagonist
分子名称: (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ...
著者Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P.
登録日2018-03-13
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZKC
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BU of 5zkc by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS
分子名称: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5ZK3
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BU of 5zk3 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB
分子名称: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2
著者Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
登録日2018-03-23
公開日2018-11-21
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5AXU
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BU of 5axu by Molmil
Crystal Structure of Cypovirus Polyhedra R13A Mutant
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Abe, S, Ijiri, H, Negishi, H, Yamanaka, H, Sasaki, K, Hirata, K, Mori, H, Ueno, T.
登録日2015-08-01
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Enzyme-Encapsulated Protein Containers by In Vivo Crystal Engineering
Adv. Mater. Weinheim, 27, 2015
5AXV
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BU of 5axv by Molmil
Crystal Structure of Cypovirus Polyhedra R13K Mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Abe, S, Ijiri, H, Negishi, H, Yamanaka, H, Sasaki, K, Hirata, K, Mori, H, Ueno, T.
登録日2015-08-01
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Design of Enzyme-Encapsulated Protein Containers by In Vivo Crystal Engineering
Adv. Mater. Weinheim, 27, 2015
7C4S
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BU of 7c4s by Molmil
Sphingosine-1-phosphate receptor 3 with a natural ligand.
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
著者Iwata, S, Maeda, S, Luo, F, Nango, E, hirata, K, Asada, H.
登録日2020-05-18
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias.
Sci Adv, 7, 2021
7E9S
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BU of 7e9s by Molmil
Archaeal oligosaccharyltransferase AglB from Archaeoglobus fulgidus in complex with an inhibitory peptide and a dolichol-phosphate
分子名称: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, DI(HYDROXYETHYL)ETHER, Dolichyl-phosphooligosaccharide-protein glycotransferase 3, ...
著者Taguchi, Y, Hirata, K, Kohda, D.
登録日2021-03-05
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of an archaeal oligosaccharyltransferase provides insight into the strict exclusion of proline from the N-glycosylation sequon.
Commun Biol, 4, 2021
6ILI
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BU of 6ili by Molmil
Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 6.5
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
著者Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
登録日2018-10-18
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
2Z5P
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BU of 2z5p by Molmil
Apo-Fr with low content of Pd ions
分子名称: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
著者Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y.
登録日2007-07-16
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
2Z5R
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BU of 2z5r by Molmil
Apo-Fr with high content of Pd ions
分子名称: CADMIUM ION, Ferritin light chain, PALLADIUM ION
著者Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y.
登録日2007-07-16
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
2Z5Q
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BU of 2z5q by Molmil
Apo-Fr with intermediate content of Pd ion
分子名称: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
著者Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y.
登録日2007-07-16
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
6JOD
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BU of 6jod by Molmil
Angiotensin II type 2 receptor with ligand
分子名称: Angiotensin II, Heavy chain of 4A03Fab, Light chain of 4A03Fab, ...
著者Asada, H, Iwata, S, Hirata, K, Shimamura, T.
登録日2019-03-20
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Crystal Structure of Angiotensin II Type 2 Receptor with Endogenous Peptide Hormone.
Structure, 28, 2020
5XLI
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BU of 5xli by Molmil
Structure of anti-Angiotensin II type2 receptor antibody (D5711-4A03)
分子名称: FabH, FabL
著者Asada, H, Horita, S, Iwata, S, Hirata, K.
登録日2017-05-10
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of the human angiotensin II type 2 receptor bound to an angiotensin II analog.
Nat. Struct. Mol. Biol., 25, 2018
6A94
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BU of 6a94 by Molmil
Crystal structure of 5-HT2AR in complex with zotepine
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
登録日2018-07-11
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
6A93
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Crystal structure of 5-HT2AR in complex with risperidone
分子名称: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
著者Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
登録日2018-07-11
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
7VR9
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BU of 7vr9 by Molmil
Crystal structure of human serum albumin complex with aripiprazole and myristic acid
分子名称: 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYRISTIC ACID, Serum albumin
著者Kawai, A, Yamasaki, K, Otagiri, M.
登録日2021-10-22
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Effects of Myristate on the Induced Circular Dichroism Spectra of Aripiprazole Bound to Human Serum Albumin: A Structural-Chemical Investigation
Acs Omega, 7, 2022
4XUI
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BU of 4xui by Molmil
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
分子名称: 1,2-ETHANEDIOL, Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
著者Tochowicz, A, McKerrow, J.H.
登録日2015-01-26
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
7V3D
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BU of 7v3d by Molmil
Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its inhibitor
分子名称: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Hayashi, H, Murayama, K.
登録日2021-08-10
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
5X8U
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Crystal Structure of the wild Human ROR gamma Ligand Binding Domain.
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8Q
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Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin.
分子名称: (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8W
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BU of 5x8w by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain.
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8X
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BU of 5x8x by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.
分子名称: (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
6KX8
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Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX7
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Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX5
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Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound
分子名称: 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide, Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020

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