2Z0B
 
 | | Crystal structure of CBM20 domain of human putative glycerophosphodiester phosphodiesterase 5 (KIAA1434) | | Descriptor: | PHOSPHATE ION, Putative glycerophosphodiester phosphodiesterase 5 | | Authors: | Saijo, S, Nishino, A, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-07 | | Release date: | 2008-05-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of CBM20 domain of human putative glycerophosphodiester phosphodiesterase 5 (KIAA1434)
To be Published
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1IYO
 | | Toho-1 beta-Lactamase In Complex With Cefotaxime | | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | | Deposit date: | 2002-09-04 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin.
J.Biol.Chem., 277, 2002
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3VQU
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
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6IEZ
 | | Crystal structure of CERT START domain in complex with compound B16 | | Descriptor: | 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2018-09-18 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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1IYP
 | | Toho-1 beta-Lactamase In Complex With Cephalothin | | Descriptor: | CEPHALOTHIN GROUP, SULFATE ION, Toho-1 beta-lactamase | | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | | Deposit date: | 2002-09-04 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin.
J.Biol.Chem., 277, 2002
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4MF0
 | | ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a) | | Descriptor: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
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3IQZ
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin | | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-21 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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8H28
 | | Crystal structure of the K87V mutant of cytochrome c' from Shewanella benthica DB6705 | | Descriptor: | Class II cytochrome c, HEME C | | Authors: | Fujii, S, Sakaguchi, R, Oki, H, Kawahara, K, Ohkubo, T, Fujiyoshi, S, Sambongi, Y. | | Deposit date: | 2022-10-05 | | Release date: | 2023-10-11 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Contribution of a surface salt bridge to the protein stability of deep-sea Shewanella benthica cytochrome c'.
J.Struct.Biol., 215, 2023
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3AG1
 | | Bovine Heart Cytochrome c Oxidase in the Carbon Monoxide-bound Fully Reduced State at 280 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Muramoto, K, Ohta, K, Shinzawa-Itoh, K, Kanda, K, Taniguchi, M, Nabekura, H, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2010-03-19 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate
Proc.Natl.Acad.Sci.USA, 107, 2010
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3AG4
 | | Bovine Heart Cytochrome c Oxidase in the Cyanide Ion-bound Fully Reduced State at 100 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Muramoto, K, Ohta, K, Shinzawa-Itoh, K, Kanda, K, Taniguchi, M, Nabekura, H, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2010-03-19 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate
Proc.Natl.Acad.Sci.USA, 107, 2010
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6J81
 | | Crystal structure of CERT START domain in complex with compound E14 | | Descriptor: | 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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3A99
 | | Structure of PIM-1 kinase crystallized in the presence of P27KIP1 Carboxy-terminal peptide | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase pim-1 | | Authors: | Morishita, D, Takami, M, Yoshikawa, S, Katayama, R, Sato, S, Kukimoto-Niino, M, Umehara, T, Shirouzu, M, Sekimizu, K, Yokoyama, S, Fujita, N. | | Deposit date: | 2009-10-22 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cell-permeable carboxyl-terminal p27(Kip1) peptide exhibits anti-tumor activity by inhibiting Pim-1 kinase
J.Biol.Chem., 286, 2011
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3ABM
 | | Bovine heart cytochrome c oxidase at the fully oxidized state (200-s X-ray exposure dataset) | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
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7E3N
 | | Crystal structure of Isocitrate dehydrogenase D252N mutant from Trypanosoma brucei in complexed with NADP+, alpha-ketoglutarate, and ca2+ | | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ... | | Authors: | Arai, N, Shiba, T, Inaoka, D.K, Kita, K, Wang, X, Otani, M, Matsushiro, S, Kojima, C. | | Deposit date: | 2021-02-09 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Isocitrate dehydrogenase from Trypanosoma brucei.
To Be Published
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3IQE
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin and coenzyme F420 | | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, COENZYME F420, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3WDR
 | | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus complexed with gluco-manno-oligosaccharide | | Descriptor: | BICARBONATE ION, Beta-mannanase, MAGNESIUM ION, ... | | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | | Deposit date: | 2013-06-20 | | Release date: | 2014-03-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
J.Biol.Chem., 289, 2014
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3IQF
 | | Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methenyl-tetrahydromethanopterin | | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ... | | Authors: | Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U. | | Deposit date: | 2009-08-20 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
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3WDQ
 | | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-mannanase, MAGNESIUM ION, ... | | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | | Deposit date: | 2013-06-20 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
J.Biol.Chem., 289, 2014
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6J0O
 | | Crystal structure of CERT START domain in complex with compound SC1 | | Descriptor: | 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2018-12-25 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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8WM0
 | | Crystal structure of TNIK-thiopeptide wTP3 complex | | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2023-10-01 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
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8HYI
 | | Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine | | Descriptor: | 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ... | | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | Deposit date: | 2023-01-06 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
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8ILL
 | | Crystal structure of a highly photostable and bright green fluorescent protein at pH5.6 | | Descriptor: | CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, green fluorescent protein | | Authors: | Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M. | | Deposit date: | 2023-03-03 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | StayGold variants for molecular fusion and membrane-targeting applications.
Nat.Methods, 21, 2024
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8ILK
 | | Crystal structure of a highly photostable and bright green fluorescent protein at pH8.5 | | Descriptor: | CHLORIDE ION, Green FLUORESCENT PROTEIN | | Authors: | Ago, H, Ando, R, Hirano, M, Shimozono, S, Miyawaki, A, Yamamoto, M. | | Deposit date: | 2023-03-03 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | StayGold variants for molecular fusion and membrane-targeting applications.
Nat.Methods, 21, 2024
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3ASO
 | | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 0.9 angstrom wavelength | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2010-12-17 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase
Acta Crystallogr.,Sect.D, 67, 2011
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7EV7
 | | Bovine heart cytochrome c oxidase in the carbon monoxide-bound fully reduced state at a 50 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Yoshikawa, S, Tsukihara, T. | | Deposit date: | 2021-05-20 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of CO-bound fully reduced state of bovine heart cytochrome c oxidase
To Be Published
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