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5DHG
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The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ...
著者Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
登録日2015-08-30
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
5DHH
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The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, OLEIC ACID, ...
著者Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR)
登録日2015-08-31
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
5UNF
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BU of 5unf by Molmil
XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl])
分子名称: Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5UNG
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BU of 5ung by Molmil
XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ...
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5UNH
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Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide)
分子名称: N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5WF5
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Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
著者White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
登録日2017-07-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
5WF6
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Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
著者White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
登録日2017-07-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
3BZ3
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BU of 3bz3 by Molmil
Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor
分子名称: Focal adhesion kinase 1, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
著者Vajdos, F, Marr, E.
登録日2008-01-17
公開日2008-04-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
Cancer Res., 68, 2008
7A4J
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BU of 7a4j by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4F
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Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (120-mer)
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4H
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BU of 7a4h by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-2 (180-mer)
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4G
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BU of 7a4g by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (180-mer)
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4I
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BU of 7a4i by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (7.04 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
3U2S
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BU of 3u2s by Molmil
Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain ZM109
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者McLellan, J.S, Pancera, M, Kwong, P.D.
登録日2011-10-04
公開日2011-11-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U46
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BU of 3u46 by Molmil
CH04H/CH02L P212121
分子名称: CH02 Light chain Fab, CH04 Heavy chain Fab
著者Louder, R, Pancera, M, McLellan, J.S, Kwong, P.D.
登録日2011-10-07
公開日2011-11-30
最終更新日2011-12-21
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
7JJI
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BU of 7jji by Molmil
Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry)
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, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
著者Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
登録日2020-07-26
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
7JJJ
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BU of 7jjj by Molmil
Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
登録日2020-07-26
公開日2020-08-26
最終更新日2020-12-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
6CXC
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BU of 6cxc by Molmil
3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ...
著者Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q.
登録日2018-04-02
公開日2019-07-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein.
Plos One, 14, 2019
5TUD
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BU of 5tud by Molmil
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
分子名称: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
著者Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
登録日2016-11-05
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RZ8
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BU of 6rz8 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365
分子名称: (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, ...
著者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.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RZ6
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Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group)
分子名称: (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, ...
著者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.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
7KCO
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ROR gamma in complex with SCR2 and compound 3
分子名称: 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K.
登録日2020-10-06
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
6RZ7
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Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group)
分子名称: (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, ...
著者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.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RZ9
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Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
分子名称: (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, ...
著者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.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
3TCL
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BU of 3tcl by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody CH04
分子名称: CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
著者Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D.
登録日2011-08-09
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011

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