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PDB: 452 件
7SU2
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BU of 7su2 by Molmil
Crystal structure of a Co-bound RIDC1 variant
分子名称: COBALT (II) ION, HEME C, Soluble cytochrome b562
著者Golub, E, Kakkis, A.
登録日2021-11-15
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
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.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
5MZJ
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BU of 5mzj by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
登録日2017-01-31
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
6LPL
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BU of 6lpl by Molmil
A2AR crystallized in EROCOC17+4, SS-ROX at 100 K
分子名称: 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,Adenosine receptor A2a, CHOLESTEROL, ...
著者Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M.
登録日2020-01-11
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
5OM4
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BU of 5om4 by Molmil
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak).
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S.
登録日2017-07-28
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
3TOL
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BU of 3tol by Molmil
Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ...
著者Brodin, J.B, Tezcan, F.A.
登録日2011-09-05
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-directed, chemically tunable assembly of one-, two- and three-dimensional crystalline protein arrays.
Nat Chem, 4, 2012
6WZ2
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BU of 6wz2 by Molmil
Co-bound structure of an engineered protein trimer, TriCyt3
分子名称: CHLORIDE ION, COBALT (II) ION, HEME C, ...
著者Tezcan, F.A, Kakkis, A.
登録日2020-05-13
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
5IU8
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BU of 5iu8 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
著者Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
3NMI
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BU of 3nmi by Molmil
Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2
分子名称: ACETATE ION, N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Radford, R.J, Tezcan, F.A.
登録日2010-06-22
公開日2010-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites.
Chem.Commun.(Camb.), 47, 2011
3DE9
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BU of 3de9 by Molmil
Crystal Structure of a Trimeric Cytochrome cb562 Assembly Induced by Nickel Coordination
分子名称: NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Salgado, E.N, Lewis, R.A, Rheingold, A.L, Tezcan, F.A.
登録日2008-06-08
公開日2009-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Control of protein oligomerization symmetry by metal coordination: C2 and C3 symmetrical assemblies through Cu(II) and Ni(II) coordination.
Inorg.Chem., 48, 2009
3IQ5
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BU of 3iq5 by Molmil
Crystal structure of an engineered metal-free tetrameric cytochrome cb562 complex templated by Zn-coordination
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Brodin, J.N, Tezcan, F.A.
登録日2009-08-19
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
登録日2022-05-16
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
3HNK
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BU of 3hnk by Molmil
Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
5OM1
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BU of 5om1 by Molmil
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 2.1A obtained from in meso soaking experiments (1 hour soak).
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S.
登録日2017-07-28
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5L32
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BU of 5l32 by Molmil
Crystal structure of the Zn-RIDC1 complex bearing six interfacial disulfide bonds
分子名称: HEME C, HEXAETHYLENE GLYCOL, Soluble cytochrome b562, ...
著者Churchfield, L.A, Tezcan, F.A.
登録日2016-08-02
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds.
J.Am.Chem.Soc., 138, 2016
7XRZ
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BU of 7xrz by Molmil
Crystal structure of BRIL and SRP2070_Fab complex
分子名称: IGG HEAVY CHAIN, IGG LIGHT CHAIN, Soluble cytochrome b562
著者Suzuki, M, Miyagi, H, Yasunaga, M, Asada, H, Iwata, S, Saito, J.
登録日2022-05-12
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone.
Acta Crystallogr D Struct Biol, 79, 2023
5IUB
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BU of 5iub by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5MZP
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BU of 5mzp by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at 2.1A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CAFFEINE, ...
著者Cheng, K.Y.R, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
3M79
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BU of 3m79 by Molmil
A tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of Cu(II) and Zn(II)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
著者Brodin, J.D, Tezcan, F.A.
登録日2010-03-16
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
8CIC
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BU of 8cic by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
著者Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M.
登録日2023-02-09
公開日2023-05-31
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
8C9W
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BU of 8c9w by Molmil
Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
著者Strater, N, Claff, T, Schlegel, J.G, Voss, J.H, Vaassen, V, Muller, C.E.
登録日2023-01-23
公開日2023-07-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
4JE9
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BU of 4je9 by Molmil
Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
登録日2013-02-26
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
6ZDV
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BU of 6zdv by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H.
登録日2020-06-15
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
5NLX
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BU of 5nlx by Molmil
A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography
分子名称: 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,Adenosine receptor A2a, CHOLESTEROL, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5WIV
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BU of 5wiv by Molmil
Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride
分子名称: D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ...
著者Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L.
登録日2017-07-20
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017

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