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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
Descriptor: 2-[(1H-indol-3-yl)methyl]prop-2-enoic acid, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Krausze, J, Rabe, J, Moser, J.
Deposit date:2016-05-01
Release date:2016-08-03
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.377 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: GLYCEROL, Glycoside hydrolase 15-related protein
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.803 Å)
Cite: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
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
Authors:Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A.
Deposit date:2020-05-07
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.505 Å)
Cite: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
Descriptor: 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
Authors:Skene, R.J, Hoffman, I.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.401 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein, ...
Authors:Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
Deposit date:2018-01-05
Release date:2019-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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.
Descriptor: NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
Authors:Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: (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', ...
Authors:Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ...
Authors: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.
Deposit date:2005-06-28
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
Deposit date:2022-05-14
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.609 Å)
Cite: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
Descriptor: Alpha-L-fucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
Deposit date:2022-05-14
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.006 Å)
Cite: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
Descriptor: Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M.
Deposit date:2022-05-14
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.708 Å)
Cite: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
Descriptor: Exosome RNA helicase MTR4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RNA (5'-R(P*UP*UP*UP*UP*U)-3'), ...
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-07
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-06
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-06
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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.
Descriptor: CALCIUM ION, CHLORIDE ION, FimH, ...
Authors:Ford, B.A, Hultgren, S.J.
Deposit date:2010-03-29
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
Authors:Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
Deposit date:2023-01-13
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.02 Å)
Cite: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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BU of 5xkm by Molmil
Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Kondo, M, Snell, G, Lane, W.
Deposit date:2017-05-08
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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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BU of 5x54 by Molmil
Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
Descriptor: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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