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7C6U
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BU of 7c6u by Molmil
Crystal structure of SARS-CoV-2 complexed with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Fu, L, Feng, Y, Qi, J, Gao, F.G.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
6TWZ
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BU of 6twz by Molmil
14-3-3 sigma complexed with a phosphorylated 16E6 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D(-)-TARTARIC ACID, ...
著者Gogl, G, Cousido-Siah, A, Sluchanko, N.N, Trave, G.
登録日2020-01-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
3BRL
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BU of 3brl by Molmil
Crystal Structure of LC8 S88E / Swa
分子名称: Dynein light chain 1, cytoplasmic, Protein swallow 10-resiude peptide
著者Benison, G.C, Karplus, P.A, Barbar, E.J, Chiodo, M.
登録日2007-12-21
公開日2008-12-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Interplay of Ligand Binding and Phosphorylation in the Regulation of Dynein Light Chain LC8
To be Published
5A0B
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BU of 5a0b by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5BK4
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BU of 5bk4 by Molmil
Cryo-EM structure of Mcm2-7 double hexamer on dsDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ...
著者Li, H, Yuan, Z, Bai, L.
登録日2017-09-12
公開日2017-10-25
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6UHC
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BU of 6uhc by Molmil
CryoEM structure of human Arp2/3 complex with bound NPFs
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
著者Zimmet, A, van Eeuwen, T, Dominguez, R.
登録日2019-09-27
公開日2020-07-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of NPF-bound human Arp2/3 complex and activation mechanism.
Sci Adv, 6, 2020
8B7W
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BU of 8b7w by Molmil
Complex IL-17A/anti-IL-17A-76
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-17A, ...
著者Kostareva, O.S, Svoeglazova, A, Kolyadenko, I.A, Dzhus, U.F, Tishchenko, S.V, Gabdulkhakov, A.G.
登録日2022-10-03
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two Epitope Regions Revealed in the Complex of IL-17A and Anti-IL-17A V H H Domain.
Int J Mol Sci, 23, 2022
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
分子名称: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
著者Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
登録日2015-08-04
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1D
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BU of 5d1d by Molmil
Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ...
著者Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
登録日2015-08-04
公開日2015-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1J
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BU of 5d1j by Molmil
CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
分子名称: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
著者Sack, J.S.
登録日2015-08-04
公開日2015-08-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent
J.Med.Chem., 47, 2004
5WXN
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BU of 5wxn by Molmil
Structure of the LKB1 and 14-3-3 complex
分子名称: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11
著者Ding, S, Shi, Z.B.
登録日2017-01-08
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta
Acta Crystallogr F Struct Biol Commun, 73, 2017
8BQW
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BU of 8bqw by Molmil
Cryo-EM structure of alpha-synuclein filaments doublet from Juvenile-onset synucleinopathy
分子名称: Alpha-synuclein, Unknown protein
著者Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M.
登録日2023-01-18
公開日2023-02-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
8BQV
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BU of 8bqv by Molmil
Cryo-EM structure of alpha-synuclein singlet filament from Juvenile-onset synucleinopathy
分子名称: Alpha-synuclein, Unknown protein
著者Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M.
登録日2023-01-18
公開日2023-02-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
2B00
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BU of 2b00 by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate
分子名称: CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
2B04
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BU of 2b04 by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate
分子名称: CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
2AZY
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BU of 2azy by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Cholate
分子名称: CALCIUM ION, CHOLIC ACID, Phospholipase A2, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
5BQC
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BU of 5bqc by Molmil
Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 and sucrose octasulfate
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, ...
著者Chang, T.-H, Hsieh, F.-L, Zebisch, M, Harlos, K, Jones, E.Y.
登録日2015-05-28
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
著者Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
登録日2003-01-31
公開日2003-03-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
著者Kitakaze, K, Maita, N, Itoh, K.
登録日2015-06-01
公開日2016-05-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
5VF9
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BU of 5vf9 by Molmil
Native human manganese superoxide dismutase
分子名称: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Azadmanesh, J, Trickel, S.R, Borgstahl, G.E.O.
登録日2017-04-07
公開日2017-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-analog binding and electrostatic surfaces of human manganese superoxide dismutase.
J. Struct. Biol., 199, 2017
5DC6
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BU of 5dc6 by Molmil
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5D1C
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Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ...
著者Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
登録日2015-08-04
公開日2015-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5DC8
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Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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