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5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
分子名称: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
著者Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
登録日2016-05-18
公開日2016-09-14
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1 Å)
主引用文献Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
6TFK
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BU of 6tfk by Molmil
Vip3Aa toxin structure
分子名称: MAGNESIUM ION, Vegetative insecticidal protein
著者Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E.
登録日2019-11-14
公開日2020-08-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis.
Nat Commun, 11, 2020
5OEO
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BU of 5oeo by Molmil
Solution structure of the complex of TRPV5(655-725) with a Calmodulin E32Q/E68Q double mutant
分子名称: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 5
著者Vuister, G.W, Bokhovchuk, F.M, Bate, N, Kovalevskaya, N, Goult, B.T, Spronk, C.A.E.M.
登録日2017-07-09
公開日2018-04-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Structural Basis of Calcium-Dependent Inactivation of the Transient Receptor Potential Vanilloid 5 Channel.
Biochemistry, 57, 2018
4LIK
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BU of 4lik by Molmil
Crystal structure of the catalytic subunit of human primase
分子名称: CITRIC ACID, DNA primase small subunit, ZINC ION
著者Vaithiyalingam, S, Eichman, B.F, Chazin, W.J.
登録日2013-07-02
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
4LIM
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BU of 4lim by Molmil
Crystal structure of the catalytic subunit of yeast primase
分子名称: DNA primase small subunit, ZINC ION
著者Vaithiyalingam, S, Chazin, W.J, Berger, J.M, Corn, J, Stephenson, S.
登録日2013-07-02
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
6T63
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BU of 6t63 by Molmil
A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6
分子名称: Gag polyprotein
著者Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M.
登録日2019-10-17
公開日2020-01-15
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
6YVG
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BU of 6yvg by Molmil
Crystal structure of MesI (Lpg2505) from Legionella pneumophila
分子名称: 1,2-ETHANEDIOL, IODIDE ION, MesI (Lpg2505)
著者Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F.
登録日2020-04-28
公開日2020-06-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 527, 2020
4LL4
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BU of 4ll4 by Molmil
The structure of the TRX and TXNIP complex
分子名称: Thioredoxin, Thioredoxin-interacting protein
著者Hwang, J, Kim, M.H.
登録日2013-07-09
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
5JRF
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BU of 5jrf by Molmil
Crystal structure of the light-driven sodium pump KR2 bound with iodide ions
分子名称: EICOSANE, IODIDE ION, Sodium pumping rhodopsin
著者Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V.
登録日2016-05-06
公開日2017-05-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
5K2D
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BU of 5k2d by Molmil
1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K3V
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BU of 5k3v by Molmil
apo-PDX1.3 (Arabidopsis)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
著者Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
登録日2016-05-20
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
6TGA
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BU of 6tga by Molmil
Cryo-EM Structure of as isolated form of NAD+-dependent Formate Dehydrogenase from Rhodobacter capsulatus
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wendler, P, Radon, C, Mittelstaedt, G.
登録日2019-11-15
公開日2020-04-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Cryo-EM structures reveal intricate Fe-S cluster arrangement and charging in Rhodobacter capsulatus formate dehydrogenase.
Nat Commun, 11, 2020
7K7X
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BU of 7k7x by Molmil
Solution structure of the cyclotide pase A
分子名称: Cyclotide pase A
著者Chan, L.Y, Pinto, M.E.F, Craik, D.J.
登録日2020-09-24
公開日2021-08-04
実験手法SOLUTION NMR
主引用文献Cyclotides from Brazilian Palicourea sessilis and Their Effects on Human Lymphocytes.
J.Nat.Prod., 84, 2021
5K47
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BU of 5k47 by Molmil
CryoEM structure of the human Polycystin-2/PKD2 TRP channel
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, Polycystin-2
著者Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2016-05-20
公開日2016-08-24
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
5K2C
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BU of 5k2c by Molmil
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5KE0
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BU of 5ke0 by Molmil
Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers
分子名称: 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Lim, J.
登録日2016-06-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
5JSI
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BU of 5jsi by Molmil
Structure of membrane protein
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
著者Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V.
登録日2016-05-08
公開日2017-05-31
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
分子名称: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
著者Wang, J, Gong, W, Li, J, Gao, F, Li, H.
登録日2013-12-08
公開日2014-09-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
5K2Z
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BU of 5k2z by Molmil
PDX1.3-adduct (Arabidopsis)
分子名称: 1,2-ETHANEDIOL, 2-azanylpenta-1,4-dien-3-one, CHLORIDE ION, ...
著者Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
登録日2016-05-19
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
7RIV
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BU of 7riv by Molmil
human PXR LBD bound to GSK001
分子名称: Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RTK
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BU of 7rtk by Molmil
Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
著者Boniecki, M.T, Cygler, M.
登録日2021-08-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
7RIO
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BU of 7rio by Molmil
human PXR LBD bound to GSK003
分子名称: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RIU
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BU of 7riu by Molmil
human PXR LBD bound to GSK002
分子名称: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
著者Williams, S.P, Wisely, G.B, Ward, P.
登録日2021-07-20
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021

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