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PDB: 36 件

5ACK
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Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket
分子名称: 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M.
登録日2015-08-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015
5LVP
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Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
4A07
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Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket
分子名称: (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M.
登録日2011-09-08
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket.
Chem.Biol., 18, 2011
4A06
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Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket
分子名称: (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M.
登録日2011-09-08
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket.
Chem.Biol., 18, 2011
5LVO
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Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket
分子名称: 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVM
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Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVL
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Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site
分子名称: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVN
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Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
4AW1
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Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M.
登録日2012-05-30
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
4CT2
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BU of 4ct2 by Molmil
Human PDK1-PKCzeta Kinase Chimera
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ...
著者Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
登録日2014-03-11
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
4CT1
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Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
分子名称: (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
登録日2014-03-11
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
4AW0
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Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M.
登録日2012-05-30
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
4C0T
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BU of 4c0t by Molmil
Candida albicans PKh Kinase Domain
分子名称: LIKELY PROTEIN KINASE
著者Schulze, J.O, Pastor-Flores, D, Biondi, R.M.
登録日2013-08-07
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors.
Acs Chem.Biol., 8, 2013
2JJZ
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BU of 2jjz by Molmil
Crystal Structure of Human Iba2, orthorhombic crystal form
分子名称: ACETATE ION, CHLORIDE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ...
著者Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K.
登録日2008-05-15
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Characterization of Human Iba Proteins.
FEBS J., 275, 2008
2CFB
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Glutamate-1-semialdehyde 2,1-Aminomutase from Thermosynechococcus elongatus
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE
著者Schulze, J.O, Schubert, W.-D, Moser, J, Jahn, D, Heinz, D.W.
登録日2006-02-17
公開日2006-03-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolutionary Relationship between Initial Enzymes of Tetrapyrrole Biosynthesis
J.Mol.Biol., 358, 2006
2CFO
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Non-Discriminating Glutamyl-tRNA Synthetase from Thermosynechococcus elongatus in Complex with Glu
分子名称: GLUTAMIC ACID, GLUTAMYL-TRNA SYNTHETASE
著者Schulze, J.O, Nickel, D, Schubert, W.-D, Jahn, D, Heinz, D.W.
登録日2006-02-22
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of a Non-Discriminating Glutamyl- tRNA Synthetase.
J.Mol.Biol., 361, 2006
2VTG
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BU of 2vtg by Molmil
Crystal Structure of Human Iba2, trigonal crystal form
分子名称: ACETATE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ZINC ION
著者Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K.
登録日2008-05-15
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and Functional Characterization of Human Iba Proteins.
FEBS J., 275, 2008
5AHV
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BU of 5ahv by Molmil
Cryo-EM structure of helical ANTH and ENTH tubules on PI(4,5)P2-containing membranes
分子名称: ANTH DOMAIN OF ENDOCYTIC ADAPTOR SLA2, ENTH DOMAIN OF EPSIN ENT1
著者Skruzny, M, Desfosses, A, Prinz, S, Dodonova, S.O, Gieras, A, Uetrecht, C, Jakobi, A.J, Abella, M, Hagen, W.J.H, Schulz, J, Meijers, R, Rybin, V, Briggs, J.A.G, Sachse, C, Kaksonen, M.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (13.6 Å)
主引用文献An Organized Co-Assembly of Clathrin Adaptors is Essential for Endocytosis.
Dev.Cell, 33, 2015
4AC5
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Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R.
登録日2011-12-14
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (8.2 Å)
主引用文献Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
3PCQ
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Femtosecond X-ray protein Nanocrystallography
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H.
登録日2010-10-21
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (8.984 Å)
主引用文献Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
8QFH
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Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFJ
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Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFI
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Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFF
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-11
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFG
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024

 

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