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1D5L
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CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Fiedler, T.J, Davey, C.A, Fenna, R.E.
登録日1999-10-07
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
7U8G
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BU of 7u8g by Molmil
Cryo-EM structure of the core human NADPH oxidase NOX2
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ...
著者Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T.
登録日2022-03-08
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the core human NADPH oxidase NOX2.
Nat Commun, 13, 2022
1D7W
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BU of 1d7w by Molmil
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
著者Fiedler, T.J, Fenna, R.E.
登録日1999-10-20
公開日2001-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
6HSV
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BU of 6hsv by Molmil
Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E.
登録日2018-10-01
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
4TYO
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BU of 4tyo by Molmil
PPIase in complex with a non-phosphate small molecule inhibitor.
分子名称: 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Greasley, S.E, Ferre, R.A.
登録日2014-07-08
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
6PZ4
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BU of 6pz4 by Molmil
co-crystal structure of BACE with inhibitor AM-6494
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Huang, X.
登録日2019-07-31
公開日2019-10-23
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.
J.Med.Chem., 63, 2020
3S7L
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Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
3IN4
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Bace1 with Compound 38
分子名称: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN3
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BU of 3in3 by Molmil
Bace1 with Compound 30
分子名称: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3RM9
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BU of 3rm9 by Molmil
AMCase in complex with Compound 3
分子名称: 4-(4-chlorophenyl)piperazine-1-carboximidamide, Acidic mammalian chitinase
著者Olland, A.
登録日2011-04-20
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RME
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AMCase in complex with Compound 5
分子名称: Acidic mammalian chitinase, GLYCEROL, N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
著者Olland, A.
登録日2011-04-20
公開日2011-08-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3S7M
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BU of 3s7m by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
3RM4
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BU of 3rm4 by Molmil
AMCase in complex with Compound 1
分子名称: 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine, Acidic mammalian chitinase
著者Olland, A.
登録日2011-04-20
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RM8
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AMCase in complex with Compound 2
分子名称: 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole, Acidic mammalian chitinase
著者Olland, A.
登録日2011-04-20
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
6N3R
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BU of 6n3r by Molmil
Sheep Galectin-11 (LGALS11) complex with galactose
分子名称: Galectin, beta-D-galactopyranose
著者Beddoe, T.C, Sakthivel, D.
登録日2018-11-16
公開日2020-05-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Sheep Galectin-11 (LGALS11) complex with galactose
To be Published
3IGB
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BU of 3igb by Molmil
Bace-1 with Compound 3
分子名称: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1
著者Olland, A.M.
登録日2009-07-27
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3L38
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Bace1 in complex with the aminopyridine Compound 44
分子名称: 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-12-16
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5OW3
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BU of 5ow3 by Molmil
Crystal structure of a C-terminally truncated trimeric ectodomain of the Arabidopsis thaliana gamete fusion protein HAP2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Fedry, J, Legrand, P, Rey, F.A, Krey, T.
登録日2017-08-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018
5OW4
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Crystal structure of a protease-resistant fragment of the Trypanosoma cruzi gamete fusion protein HAP2 ectodomain
分子名称: Uncharacterized protein
著者Fedry, J, Rey, F.A, Krey, T.
登録日2017-08-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018
3L3A
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Bace-1 with the aminopyridine Compound 32
分子名称: 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-12-16
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6N44
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Sheep Galectin-11 (LGALS11) complex with glycerol
分子名称: GLYCEROL, Galectin
著者Beddoe, T.C, Sakthivel, D.
登録日2018-11-17
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The oligomeric assembly of galectin-11 is critical for anti-parasitic activity in sheep (Ovis aries).
Commun Biol, 3, 2020
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