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2M2X
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Solution structure of the antimicrobial peptide [Aba3,5,7,12,14,16]BTD-2
分子名称: [Aba3,5,7,12,14,16]BTD-2
著者Conibear, A.C, Rosengren, K, Daly, N.L, Troiera Henriques, S, Craik, D.J.
登録日2013-01-03
公開日2013-02-27
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献The cyclic cystine ladder in theta-defensins is important for structure and stability, but not antibacterial activity.
J.Biol.Chem., 288, 2013
1S8L
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Anion-free form of the D85S mutant of bacteriorhodopsin from crystals grown in the presence of halide
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin precursor, RETINAL
著者Facciotti, M.T, Cheung, V.S, Lunde, C.S, Rouhani, S, Baliga, N.S, Glaeser, R.M.
登録日2004-02-02
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity of anion binding in the substrate pocket of bacteriorhodopsin.
Biochemistry, 43, 2004
1C8S
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BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN ("M" STATE INTERMEDIATE), ...
著者Luecke, H.
登録日1999-07-29
公開日1999-10-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution.
Science, 286, 1999
4K81
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BU of 4k81 by Molmil
Crystal structure of the Grb14 RA and PH domains in complex with GTP-loaded H-Ras
分子名称: GLYCEROL, GTPase HRas, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Qamra, R, Hubbard, S.R.
登録日2013-04-17
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the interaction of the adaptor protein grb14 with activated ras.
Plos One, 8, 2013
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
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, 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2014-11-29
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
5KRH
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone
分子名称: (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-02-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
8E30
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BU of 8e30 by Molmil
E. coli 50S ribosome bound to compound streptogramin A analog 3142
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (1.91 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E36
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BU of 8e36 by Molmil
E. coli 50S ribosome bound to compound streptogramin A analog 3146
分子名称: 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E35
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BU of 8e35 by Molmil
E. coli 50S ribosome bound to compound SAB002
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E33
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BU of 8e33 by Molmil
E. coli 50S ribosome bound to compound streptogramin analog SAB001
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E43
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BU of 8e43 by Molmil
E. coli 50S ribosome bound to compound streptogramin A analog 3336
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Streptogramin A analogs
To Be Published
5KRI
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BU of 5kri by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol
分子名称: (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 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2023-09-27
実験手法X-RAY DIFFRACTION (4.900007 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
1S8J
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BU of 1s8j by Molmil
Nitrate-bound D85S mutant of bacteriorhodopsin
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin precursor, NITRATE ION, ...
著者Facciotti, M.T, Cheung, V.S, Lunde, C.S, Rouhani, S, Baliga, N.S, Glaeser, R.M.
登録日2004-02-02
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity of anion binding in the substrate pocket of bacteriorhodopsin.
Biochemistry, 43, 2004
5LXS
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BU of 5lxs by Molmil
Tubulin-KS-1-199-32 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2016-09-22
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
4UB8
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BU of 4ub8 by Molmil
Native structure of photosystem II (dataset-2) by a femtosecond X-ray laser
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Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
登録日2014-08-12
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
3OWN
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BU of 3own by Molmil
Potent macrocyclic renin inhibitors
分子名称: (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ...
著者Borkakoti, N, Derbyshire, D.
登録日2010-09-20
公開日2010-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of potent macrocyclic renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4UB6
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BU of 4ub6 by Molmil
Native structure of photosystem II (dataset-1) by a femtosecond X-ray laser
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Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
登録日2014-08-12
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
5M1E
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BU of 5m1e by Molmil
Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor
分子名称: (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ...
著者Marshall, S.A, Leys, D.
登録日2016-10-07
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
1F4Z
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BU of 1f4z by Molmil
BACTERIORHODOPSIN-M PHOTOINTERMEDIATE STATE OF THE E204Q MUTANT AT 1.8 ANGSTROM RESOLUTION
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ...
著者Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K.
登録日2000-06-10
公開日2000-08-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin.
J.Mol.Biol., 300, 2000
1S5L
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BU of 1s5l by Molmil
Architecture of the photosynthetic oxygen evolving center
分子名称: 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, BETA-CAROTENE, BICARBONATE ION, ...
著者Ferreira, K.N, Iverson, T.M, Maghlaoui, K, Barber, J, Iwata, S.
登録日2004-01-21
公開日2004-02-24
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Architecture of the Photosynthetic Oxygen-Evolving Center
Science, 303, 2004
1F50
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BACTERIORHODOPSIN-BR STATE OF THE E204Q MUTANT AT 1.7 ANGSTROM RESOLUTION
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ...
著者Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K.
登録日2000-06-10
公開日2000-08-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin.
J.Mol.Biol., 300, 2000
6ZSA
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BU of 6zsa by Molmil
Human mitochondrial ribosome bound to mRNA, A-site tRNA and P-site tRNA
分子名称: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
著者Aibara, S, Singh, V, Modelska, A, Amunts, A.
登録日2020-07-15
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of mitochondrial translation.
Elife, 9, 2020
5M0D
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BU of 5m0d by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
6HU9
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III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ...
著者Hartley, A.M, Pinotsis, N, Marechal, A.
登録日2018-10-05
公開日2018-12-26
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1.
Nat. Struct. Mol. Biol., 26, 2019

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