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6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
分子名称: Flpp3
著者Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
登録日2019-07-03
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
5UFW
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BU of 5ufw by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154
分子名称: (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor
著者Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
登録日2017-01-06
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
登録日2012-11-09
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
4UB9
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Structural and catalytic characterization of molinate hydrolase
分子名称: Molinate hydrolase, ZINC ION
著者Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L.
登録日2014-08-12
公開日2015-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
6R8H
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BU of 6r8h by Molmil
Triosephosphate isomerase from liver fluke (Fasciola hepatica).
分子名称: SULFATE ION, Triosephosphate isomerase
著者Ferraro, F, Corvo, I, Bergalli, L, Ilarraz, A, Cabrera, M, Gil, J, Susuki, B, Caffrey, C, Timson, D.J, Robert, X, Guillon, C, Alvarez, G.
登録日2019-04-01
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity.
Sci Rep, 10, 2020
7ACU
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BU of 7acu by Molmil
Crystal structure of human transthyretin in complex with Benzbromarone
分子名称: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
著者Leite, J.P, Gales, L.
登録日2020-09-11
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献Repurposing Benzbromarone for Familial Amyloid Polyneuropathy: A New Transthyretin Tetramer Stabilizer.
Int J Mol Sci, 21, 2020
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
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, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
6EP1
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Transthyretin in complex with 5-(4-nitrophenylazo)-3-iodosalicylic acid
分子名称: 5-(4-nitrophenylazo)-3-iodosalicylic acid, Transthyretin
著者Leite, J.P, Gales, L.
登録日2017-10-10
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease
Eur.J.Med.Chem., 2021
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
分子名称: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
著者Leite, J.P, Gales, L.
登録日2017-10-10
公開日2021-10-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
6GHX
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BU of 6ghx by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 31-35 in Complex with Cd-substituted Thermolysin
分子名称: CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Leite, J.P, Gales, L.
登録日2018-05-09
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.156 Å)
主引用文献Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
2WM1
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BU of 2wm1 by Molmil
The crystal structure of human alpha-amino-beta-carboxymuconate- epsilon-semialdehyde decarboxylase in complex with 1,3- dihydroxyacetonephosphate suggests a regulatory link between NAD synthesis and glycolysis
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 2-AMINO-3-CARBOXYMUCONATE-6-SEMIALDEHYDE DECARBOXYLASE, GLYCEROL, ...
著者Garavaglia, S, Perozzi, S, Galeazzi, L, Raffaelli, N, Rizzi, M.
登録日2009-06-29
公開日2009-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Crystal Structure of Human Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase in Complex with 1,3-Dihydroxyacetonephosphate Suggests a Regulatory Link between Nad Synthesis and Glycolysis
FEBS J., 276, 2009
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
著者Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
登録日2013-10-09
公開日2013-12-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
5E7C
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BU of 5e7c by Molmil
Macromolecular diffractive imaging using imperfect crystals - Bragg data
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Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
登録日2015-10-12
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5E79
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Macromolecular diffractive imaging using imperfect crystals
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Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
登録日2015-10-12
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5K2B
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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
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
5K2C
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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
5K2A
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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
4O34
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Room temperature macromolecular serial crystallography using synchrotron radiation
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N.
登録日2013-12-18
公開日2014-06-11
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Room-temperature macromolecular serial crystallography using synchrotron radiation.
IUCrJ, 1, 2014
2I5P
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BU of 2i5p by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase isoform 1 from K. marxianus
分子名称: BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase 1, alpha-D-glucopyranose
著者Ferreira-da-Silva, F, Pereira, P.J.B, Gales, L, Moradas-Ferreira, P, Damas, A.M.
登録日2006-08-25
公開日2006-09-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal and Solution Structures of Glyceraldehyde-3-phosphate Dehydrogenase Reveal Different Quaternary Structures.
J.Biol.Chem., 281, 2006
3SSG
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Structure of transthyretin L55P in complex with Zn
分子名称: CACODYLATE ION, Transthyretin, ZINC ION
著者Castro-Rodrigues, A.F, Gales, L, Damas, A.M.
登録日2011-07-08
公開日2011-11-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into a zinc-dependent pathway leading to Leu55Pro transthyretin amyloid fibrils.
Acta Crystallogr.,Sect.D, 67, 2011
7NDF
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BU of 7ndf by Molmil
Crystal structure of nanobody Nb_MsbA#1 in complex with the nucleotide binding domain of MsbA
分子名称: Lipid A ABC transporter ATP-binding protein/permease MsbA, Nb_MsbA 1
著者Meier, G, Seeger, M.
登録日2021-02-01
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells.
Sci Adv, 8, 2022
7OBM
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Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727)
分子名称: Prolyl endopeptidase-like
著者Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP)
登録日2021-04-22
公開日2021-11-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function.
Iscience, 24, 2021
7Q55
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Single Particle Cryo-EM structure of photosynthetic A8B8 glyceraldehyde-3-phosphate dehydrogenase hexadecamer (major conformer) from Spinacia oleracia.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
7Q56
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Single Particle Cryo-EM structure of photosynthetic A8B8 glyceraldehyde-3-phosphate dehydrogenase (minor conformer) from Spinacia oleracea.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022

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