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8OTY
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Crystal structure of the titin domain Fn3-90
分子名称: Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-21
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
6C94
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BU of 6c94 by Molmil
Structure Of Cytochrome P450 4B1 (CYP4B1) Complexed with the Inhibitor HET0016
分子名称: Cytochrome P450 4B1, N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.-H, Johnson, E.F.
登録日2018-01-25
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1.
J. Biol. Chem., 293, 2018
5M27
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BU of 5m27 by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
分子名称: Beta subunit of photoactivated adenylyl cyclase, CALCIUM ION, CHLORIDE ION, ...
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-10-12
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
4A1F
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BU of 4a1f by Molmil
Crystal structure of C-terminal domain of Helicobacter pylori DnaB Helicase
分子名称: CITRATE ANION, REPLICATIVE DNA HELICASE
著者Stelter, M, Kapp, U, Timmins, J, Terradot, L.
登録日2011-09-14
公開日2012-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Architecture of a Dodecameric Bacterial Replicative Helicase.
Structure, 20, 2012
5T2C
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BU of 5t2c by Molmil
CryoEM structure of the human ribosome at 3.6 Angstrom resolution
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
著者Zhang, X, Lai, M, Zhou, Z.H.
登録日2016-08-23
公開日2017-01-25
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
8F11
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BU of 8f11 by Molmil
T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label
分子名称: 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.
J.Am.Chem.Soc., 145, 2023
8BQP
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BU of 8bqp by Molmil
Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
登録日2022-11-21
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
4ACC
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BU of 4acc by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-14
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
8EXD
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BU of 8exd by Molmil
Crystal structure of Aspergillus fumigatus sterylglucosidase A
分子名称: Sterylglucosidase A (SglA)
著者Pereira de Sa, N, Del Poeta, M, Airola, M.V.
登録日2022-10-25
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Targeting Sterylglucosidase A to Treat Aspergillus fumigatus Infections.
Mbio, 14, 2023
8EKN
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BU of 8ekn by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 15
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-09-21
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EPO
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BU of 8epo by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 18
分子名称: (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-10-06
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
5T2V
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BU of 5t2v by Molmil
Crystal structure of MSMEG_6753 a putative betaketoacyl-ACP reductase
分子名称: MAGNESIUM ION, Oxidoreductase, short chain dehydrogenase/reductase family protein
著者Blaise, M, Van Wyk, N, Baneres-Roquet, F, Guerardel, Y, Kremer, L.
登録日2016-08-24
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
8EQ7
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BU of 8eq7 by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 20
分子名称: (2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-10-07
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EUL
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BU of 8eul by Molmil
cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gable, J.A, Follmer, A.H, Poulos, T.L.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
5NAV
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BU of 5nav by Molmil
Crystal structure of the double mutant (Cys211Ser/Cys292Ser) 6-phospho-b-D-glucosidase from Lactobacillus plantarum
分子名称: Beta-galactosidase
著者Acebron, I, Mancheno, J.M.
登録日2017-02-28
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of the substrate specificity and instability in solution of a glycosidase from Lactobacillus plantarum.
Biochim. Biophys. Acta, 1865, 2017
8ER4
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BU of 8er4 by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 23
分子名称: (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-10-11
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8BQT
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BU of 8bqt by Molmil
Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates
分子名称: CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster
著者Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
登録日2022-11-21
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
8EUD
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BU of 8eud by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 22
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
3MX0
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BU of 3mx0 by Molmil
Crystal Structure of EphA2 ectodomain in complex with ephrin-A5
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 2, ...
著者Himanen, J.P, Yermekbayeva, L, Janes, P.W, Walker, J.R, Xu, K, Atapattu, L, Rajashankar, K.R, Mensinga, A, Lackmann, M, Nikolov, D.B, Dhe-Paganon, S.
登録日2010-05-06
公開日2010-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
4TNI
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BU of 4tni by Molmil
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4ACH
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BU of 4ach by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
8HCO
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BU of 8hco by Molmil
Substrate-engaged TOM complex from yeast
分子名称: Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, ...
著者Zhou, X.Y, Yang, Y.Q, Wang, G.P, Wang, S.S.
登録日2022-11-02
公開日2023-09-13
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Molecular pathway of mitochondrial preprotein import through the TOM-TIM23 supercomplex.
Nat.Struct.Mol.Biol., 30, 2023
5SVU
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BU of 5svu by Molmil
Structure and kinetics of the LOV domain of ZEITLUPE determine its circadian function in Arabidopsis
分子名称: Adagio protein 1, FLAVIN MONONUCLEOTIDE
著者Zoltowski, B, Pudasaini, A.
登録日2016-08-07
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Kinetics of the LOV domain of ZEITLUPE determine its circadian function inArabidopsis.
Elife, 6, 2017

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