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2VDD
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BU of 2vdd by Molmil
Crystal Structure of the Open State of TolC Outer Membrane Component of Mutlidrug Efflux Pumps
分子名称: CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, POTASSIUM ION
著者Bavro, V.N, Pietras, Z, Furnham, N, Perez-Cano, L, Fernandez-Recio, J, Pei, X.Y, Truer, R, Misra, R, Luisi, B.
登録日2007-10-04
公開日2008-04-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Assembly and Channel Opening in a Bacterial Drug Efflux Machine.
Mol.Cell, 30, 2008
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
分子名称: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-22
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2UZH
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BU of 2uzh by Molmil
Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)
分子名称: 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
著者Buetow, L, Brown, A.C, Parish, T, Hunter, W.N.
登録日2007-04-27
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery.
Bmc Struct.Biol., 7, 2007
5WHS
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BU of 5whs by Molmil
Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.6 A
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Diaz-Vilchis, A, Vega-Garcia, V, Rudino-Pinera, E, Hansberg, W.
登録日2017-07-18
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure, kinetics, molecular and redox properties of a cytosolic and developmentally regulated fungal catalase-peroxidase.
Arch. Biochem. Biophys., 640, 2018
5A2C
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BU of 5a2c by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
分子名称: ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
登録日2015-05-17
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
2NWD
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BU of 2nwd by Molmil
Structure of chemically synthesized human lysozyme at 1 Angstrom resolution
分子名称: Lysozyme C
著者Durek, T, Torbeev, V.Y, Kent, S.B.H.
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Convergent chemical synthesis and high-resolution x-ray structure of human lysozyme.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5A6V
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BU of 5a6v by Molmil
Open and closed conformations and protonation states of Candida antarctica Lipase B: Xenon complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ...
著者Stauch, B, Fisher, S.J, Cianci, M.
登録日2015-07-01
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015
5WUQ
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BU of 5wuq by Molmil
Crystal structure of SigW in complex with its anti-sigma RsiW, a zinc binding form
分子名称: Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW, ZINC ION
著者Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y.
登録日2016-12-20
公開日2017-03-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW
PLoS ONE, 12, 2017
5A7M
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BU of 5a7m by Molmil
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T.
登録日2015-07-08
公開日2016-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
6TRY
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BU of 6try by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound
分子名称: 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Garavaglia, S.
登録日2019-12-19
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- a ]pyridines against the 1A Family.
Acs Med.Chem.Lett., 11, 2020
5WZO
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BU of 5wzo by Molmil
Crystal structure of human secreted phospholipase A2 group IIE, crystallized with calcium
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Hou, S, Xu, J, Xu, T, Liu, J.
登録日2017-01-18
公開日2018-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
5WZU
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BU of 5wzu by Molmil
Crystal structure of human secreted phospholipase A2 group IIE with Compound 24
分子名称: 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Hou, S, Xu, J, Xu, T, Liu, J.
登録日2017-01-18
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
5ABG
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BU of 5abg by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
6TSK
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BU of 6tsk by Molmil
Beta-galactosidase in complex with L-ribose
分子名称: Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-20
公開日2020-01-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
5WZW
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BU of 5wzw by Molmil
Crystal structure of human secreted phospholipase A2 group IIE with LY311727
分子名称: (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Hou, S, Xu, J, Xu, T, Liu, J.
登録日2017-01-18
公開日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
6TTJ
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BU of 6ttj by Molmil
Neutral invertase 2 from Arabidopsis thaliana
分子名称: Alkaline/neutral invertase CINV1
著者Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V.
登録日2019-12-27
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.392 Å)
主引用文献Crystal structure of Arabidopsis thaliana neutral invertase 2.
Acta Crystallogr.,Sect.F, 76, 2020
7BZV
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BU of 7bzv by Molmil
Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3
分子名称: 2-aminomuconic 6-semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shi, Q.L, Chen, Y.J, Su, D.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献The tetrameric assembly of 2-aminomuconic 6-semialdehyde dehydrogenase is a functional requirement of cofactor NAD + binding.
Environ.Microbiol., 2021
2P4F
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BU of 2p4f by Molmil
Crystal Structure of Atp11 functional domain from Candida Glabrata
分子名称: HEXAETHYLENE GLYCOL, Similar to sp|P32453 Saccharomyces cerevisiae YNL315c ATP11
著者Ludlam, A.V, Brunzelle, J.S, Gatti, D.L, Ackerman, S.H.
登録日2007-03-12
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Atp11 functional domain from Candida Glabrata
To be Published
7BGC
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BU of 7bgc by Molmil
human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Salerno, A, Bolognesi, M.L.
登録日2021-01-06
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.
J.Med.Chem., 64, 2021
7C1E
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BU of 7c1e by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W)
分子名称: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wu, Y.F, Zhou, J.Y, Liu, Y.F, Xu, G.C, Ni, Y.
登録日2020-05-03
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering an Alcohol Dehydrogenase from Kluyveromyces polyspora for Efficient Synthesis of Ibrutinib Intermediate
Adv.Synth.Catal., 2021
2P7P
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BU of 2p7p by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and sulfate ion
分子名称: Glyoxalase family protein, MANGANESE (II) ION, SULFATE ION
著者Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
登録日2007-03-20
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
2OTZ
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BU of 2otz by Molmil
N-methylaniline in complex with T4 Lysozyme L99A
分子名称: Lysozyme, N-METHYLANILINE, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2AZK
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BU of 2azk by Molmil
Crystal structure for the mutant W136E of Sulfolobus solfataricus hexaprenyl pyrophosphate synthase
分子名称: Geranylgeranyl pyrophosphate synthetase
著者Sun, H.Y, Ko, T.P, Kuo, C.J, Guo, R.T, Chou, C.C, Liang, P.H, Wang, A.H.J.
登録日2005-09-12
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Homodimeric hexaprenyl pyrophosphate synthase from the thermoacidophilic crenarchaeon Sulfolobus solfataricus displays asymmetric subunit structures
J.Bacteriol., 187, 2005
2AZT
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BU of 2azt by Molmil
Crystal structure of H176N mutant of human Glycine N-Methyltransferase
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, CITRIC ACID, ...
著者Luka, Z, Pakhomova, S, Luka, Y, Newcomer, M.E, Wagner, C.
登録日2005-09-12
公開日2006-09-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Destabilization of human glycine N-methyltransferase by H176N mutation.
Protein Sci., 16, 2007
7C24
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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

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