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5G3U
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BU of 5g3u by Molmil
The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with its inhibitor 2-(1H-indol-3-ylmethyl)prop-2- enoic acid
分子名称: 2-[(1H-indol-3-yl)methyl]prop-2-enoic acid, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Krausze, J, Rabe, J, Moser, J.
登録日2016-05-01
公開日2016-08-03
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.377 Å)
主引用文献Biosynthesis of Violacein, Structure and Function of l-Tryptophan Oxidase VioA from Chromobacterium violaceum.
J.Biol.Chem., 291, 2016
5Z3D
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BU of 5z3d by Molmil
Glycosidase F290Y
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2022-02-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5Z3C
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BU of 5z3c by Molmil
Glycosidase E178A
分子名称: GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5Z3B
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BU of 5z3b by Molmil
Glycosidase Y48F
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C26
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BU of 7c26 by Molmil
Glycosidase Wild Type at pH4.5
分子名称: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
著者Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
登録日2020-05-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C27
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BU of 7c27 by Molmil
Glycosidase F290Y at pH4.5
分子名称: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
著者Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
登録日2020-05-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C24
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BU of 7c24 by Molmil
Glycosidase F290Y at pH8.0
分子名称: AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase
著者Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
登録日2020-05-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
7C25
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BU of 7c25 by Molmil
Glycosidase Wild Type at pH8.0
分子名称: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
著者Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
登録日2020-05-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
6B30
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BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
分子名称: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-09-20
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
5Z3A
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BU of 5z3a by Molmil
Glycosidase Wild Type
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5Z3E
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BU of 5z3e by Molmil
Glycosidase E335A
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5Z3F
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BU of 5z3f by Molmil
Glycosidase E335A in complex with glucose
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein, ...
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
2A4R
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BU of 2a4r by Molmil
HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.
分子名称: NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
著者Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
2A4Q
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BU of 2a4q by Molmil
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
分子名称: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
著者Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
2A4G
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BU of 2a4g by Molmil
Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound
分子名称: ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ...
著者Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K.
登録日2005-06-28
公開日2006-07-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
7XSG
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BU of 7xsg by Molmil
Crystal structure of ClAgl29B
分子名称: Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
登録日2022-05-14
公開日2023-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.609 Å)
主引用文献Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
7XSF
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BU of 7xsf by Molmil
Crystal structure of ClAgl29A
分子名称: Alpha-L-fucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
登録日2022-05-14
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
7XSH
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BU of 7xsh by Molmil
Crystal structure of ClAgl29B bound with L-glucose
分子名称: Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
登録日2022-05-14
公開日2023-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
7Z52
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BU of 7z52 by Molmil
Human NEXT dimer - focused reconstruction of the single MTR4
分子名称: Exosome RNA helicase MTR4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RNA (5'-R(P*UP*UP*UP*UP*U)-3'), ...
著者Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
登録日2022-03-07
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
7Z4Z
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BU of 7z4z by Molmil
Human NEXT dimer - focused reconstruction of the dimerization module
分子名称: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
著者Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
登録日2022-03-06
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
7Z4Y
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BU of 7z4y by Molmil
Human NEXT dimer - overall reconstruction of the core complex
分子名称: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
著者Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
登録日2022-03-06
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
3MCY
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BU of 3mcy by Molmil
Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.
分子名称: CALCIUM ION, CHLORIDE ION, FimH, ...
著者Ford, B.A, Hultgren, S.J.
登録日2010-03-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based drug design and optimization of mannoside bacterial FimH antagonists.
J.Med.Chem., 53, 2010
8I21
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BU of 8i21 by Molmil
Cryo-EM structure of 6-subunit Smc5/6 arm region
分子名称: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
著者Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2023-01-13
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.02 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
5XKM
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Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Oki, H, Kondo, M, Snell, G, Lane, W.
登録日2017-05-08
公開日2017-08-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
5X54
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Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
分子名称: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2017-02-14
公開日2017-03-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017

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