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5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
Descriptor: (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, ...
Authors: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)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
Descriptor: (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, ...
Authors:Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
4MD2
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BU of 4md2 by Molmil
Ground state of bacteriorhodopsin from Halobacterium salinarum
Descriptor: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ...
Authors:Borshchevskiy, V, Erofeev, I, Round, E, Weik, M, Ishchenko, A, Gushchin, I, Mishin, A, Bueldt, G, Gordeliy, V.
Deposit date:2013-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Low-dose X-ray radiation induces structural alterations in proteins.
Acta Crystallogr.,Sect.D, 70, 2014
4MD1
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BU of 4md1 by Molmil
Orange species of bacteriorhodopsin from Halobacterium salinarum
Descriptor: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ...
Authors:Borshchevskiy, V, Erofeev, I, Round, E, Weik, M, Ishchenko, A, Gushchin, I, Mishin, A, Bueldt, G, Gordeliy, V.
Deposit date:2013-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Low-dose X-ray radiation induces structural alterations in proteins.
Acta Crystallogr.,Sect.D, 70, 2014
4MND
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BU of 4mnd by Molmil
Crystal structure of Archaeoglobus fulgidus IPCT-DIPPS bifunctional membrane protein
Descriptor: CTP L-myo-inositol-1-phosphate cytidylyltransferase/CDP-L-myo-inositol myo-inositolphosphotransferase, EICOSANE, MAGNESIUM ION
Authors:Nogly, P, Gushchin, I, Remeeva, A, Esteves, A.M, Ishchenko, A, Ma, P, Grudinin, S, Borges, N, Round, E, Moraes, I, Borshchevskiy, V, Santos, H, Gordeliy, V, Archer, M.
Deposit date:2013-09-10
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism.
Nat Commun, 5, 2014
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
Descriptor: Flpp3
Authors: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.
Deposit date:2019-07-03
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
5IJI
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BU of 5iji by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in symmetric holo state
Descriptor: EICOSANE, NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
Deposit date:2016-03-02
Release date:2017-05-31
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
5JEF
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BU of 5jef by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state
Descriptor: EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
Deposit date:2016-04-18
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
5JEQ
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BU of 5jeq by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (R50K) in symmetric apo state
Descriptor: Nitrate/nitrite sensor protein NarQ, PHOSPHATE ION
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
Deposit date:2016-04-18
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
6ME2
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BU of 6me2 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon
Descriptor: DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME4
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BU of 6me4 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME3
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BU of 6me3 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin
Descriptor: DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ...
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME5
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BU of 6me5 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine
Descriptor: OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6RZ4
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BU of 6rz4 by Molmil
Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ...
Authors:Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
6RZ5
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BU of 6rz5 by Molmil
XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ...
Authors:Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
6RZ7
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BU of 6rz7 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RZ9
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BU of 6rz9 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RZ8
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BU of 6rz8 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RZ6
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BU of 6rz6 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
4ZIX
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BU of 4zix by Molmil
Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V.
Deposit date:2015-04-28
Release date:2015-08-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
IUCrJ, 2, 2015
4ZIZ
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BU of 4ziz by Molmil
Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase (C-Phycocyanin from T. elongatus)
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V.
Deposit date:2015-04-28
Release date:2015-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.
IUCrJ, 2, 2015
3QAP
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BU of 3qap by Molmil
Crystal structure of Natronomonas pharaonis sensory rhodopsin II in the ground state
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, EICOSANE, RETINAL, ...
Authors:Gushchin, I, Reshetnyak, A, Borshchevskiy, V, Ishchenko, A, Round, E, Grudinin, S, Engelhard, M, Buldt, G, Gordeliy, V.
Deposit date:2011-01-11
Release date:2011-09-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active State of Sensory Rhodopsin II: Structural Determinants for Signal Transfer and Proton Pumping.
J.Mol.Biol., 412, 2011
3QDC
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BU of 3qdc by Molmil
Crystal structure of Natronomonas pharaonis sensory rhodopsin II in the active state
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, EICOSANE, RETINAL, ...
Authors:Gushchin, I, Reshetnyak, A, Borshchevskiy, V, Ishchenko, A, Round, E, Grudinin, S, Engelhard, M, Buldt, G, Gordeliy, V.
Deposit date:2011-01-18
Release date:2011-09-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active State of Sensory Rhodopsin II: Structural Determinants for Signal Transfer and Proton Pumping.
J.Mol.Biol., 412, 2011
6XYN
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BU of 6xyn by Molmil
Crystal structure of a proteolytic fragment of NarQ comprising sensor and TM domains
Descriptor: NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
Authors:Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Gordeliy, V.
Deposit date:2020-01-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a proteolytic fragment of the sensor histidine kinase NarQ
Crystals, 2020

218853

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