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8DYQ
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Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-08-04
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
7ER3
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BU of 7er3 by Molmil
Crystal structure of beta-lactoglobulin complexed with chloroquine
分子名称: (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Major allergen beta-lactoglobulin
著者Yao, Q, Ma, J, Xing, Y, Zang, J.
登録日2021-05-05
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells.
J.Agric.Food Chem., 69, 2021
8OK0
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BU of 8ok0 by Molmil
Crystal structure of human NQO1 in complex with the inhibitor PMSF
分子名称: ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A.
登録日2023-03-26
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
分子名称: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
6N5F
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BU of 6n5f by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3
分子名称: Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6N5G
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BU of 6n5g by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2
分子名称: 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
分子名称: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-20
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
4QU3
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BU of 4qu3 by Molmil
GES-2 ertapenem acyl-enzyme complex
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ...
著者Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B.
登録日2014-07-10
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
3B9O
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BU of 3b9o by Molmil
long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN
分子名称: Alkane monooxygenase, FLAVIN MONONUCLEOTIDE
著者Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
登録日2007-11-06
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
4R5B
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BU of 4r5b by Molmil
Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate
分子名称: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Mahon, B.P, McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
1YKW
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BU of 1ykw by Molmil
Crystal Structure of a Novel RuBisCO-Like Protein from the Green Sulfur Bacterium Chlorobium tepidum
分子名称: RuBisCO-like protein
著者Li, H, Sawaya, M.R, Tabita, F.R, Eisenberg, D.
登録日2005-01-18
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a RuBisCO-like protein from the green sulfur bacterium Chlorobium tepidum.
Structure, 13, 2005
8DPC
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BU of 8dpc by Molmil
Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae
分子名称: Carbonic anhydrase, SULFATE ION, ZINC ION
著者Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
登録日2022-07-15
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
1YLU
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BU of 1ylu by Molmil
The structure of E. coli nitroreductase with bound acetate, crystal form 2
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I.
登録日2005-01-19
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
J.Biol.Chem., 280, 2005
7LOT
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BU of 7lot by Molmil
Human PPAR Gamma LBD in Complex with Tetrazole Compound N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine.
分子名称: Peroxisome proliferator-activated receptor gamma, ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine
著者de Paula, K, Nascimento, A.S.
登録日2021-02-10
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Tetrazoles as PPAR gamma ligands: A structural and computational investigation.
J.Mol.Graph.Model., 106, 2021
8K5C
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BU of 8k5c by Molmil
Cryo-EM structure of Acipimox bound human hydroxy-carboxylic acid receptor 2 (Local refinement)
分子名称: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Human hydroxycarboxylic acid receptor 2
著者Park, J.H, Ishimoto, N, Park, S.Y.
登録日2023-07-21
公開日2023-11-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
8OL6
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BU of 8ol6 by Molmil
Murine type II Abeta fibril from tgAPPSwe mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8K5D
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BU of 8k5d by Molmil
Cryo-EM structure of GSK256073 bound human hydroxy-carboxylic acid receptor 2 (Local refinement)
分子名称: 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Human hydroxycarboxylic acid receptor 2
著者Park, J.H, Ishimoto, N, Park, S.Y.
登録日2023-07-21
公開日2023-11-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
8K5B
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BU of 8k5b by Molmil
Cryo-EM structure of niacin bound human hydroxy-carboxylic acid receptor 2 (Local refinement)
分子名称: Human Hydroxycarboxylic acid receptor 2, NICOTINIC ACID
著者Park, J.H, Ishimoto, N, Park, S.Y.
登録日2023-07-21
公開日2023-11-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
8K2X
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BU of 8k2x by Molmil
CXCR3-DNGi complex activated by CXCL10
分子名称: C-X-C motif chemokine 10, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiao, H.Z, Hu, H.L.
登録日2023-07-14
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487.
Cell Discov, 9, 2023
8OLN
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BU of 8oln by Molmil
DI1 Abeta fibril from tg-SwDI mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OLQ
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BU of 8olq by Molmil
DI3 Abeta fibril from tg-SwDI mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
4QSA
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BU of 4qsa by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-03
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
8OL3
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BU of 8ol3 by Molmil
Murine type III Abeta fibril from APP/PS1 mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OL2
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BU of 8ol2 by Molmil
Murine type II Abeta fibril from APP23 mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OL5
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BU of 8ol5 by Molmil
Murine type II Abeta fibril from ARTE10 mouse
分子名称: Amyloid-beta protein 42
著者Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
登録日2023-03-30
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023

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