5XIE
| Crystal Structure of HasAp with 5-ethynyl-10,20-diphenylporphyrin | Descriptor: | 5-Ethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-26 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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6HJ5
| Crystal structure of Whitewater Arroyo virus GP1 glycoprotein at pH 5.6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex | Authors: | Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A. | Deposit date: | 2018-08-31 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1. J. Virol., 93, 2019
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6HJC
| Crystal structure of Loei River virus GP1 glycoprotein at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Pre-glycoprotein polyprotein GP complex | Authors: | Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A. | Deposit date: | 2018-09-03 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1. J. Virol., 93, 2019
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5XA4
| Crystal Structure of HasAp with Fe-5,15-Diazaporphyrin | Descriptor: | 10,20-Diphenyl-5,15-diaza-porphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-03-10 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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5XKB
| Crystal Structure of HasAp with Fe-5,15-bisethynyl-10,20-diphenylporphyrin | Descriptor: | 5,15-Bisethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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3VOO
| Cytochrome P450SP alpha (CYP152B1) mutant A245E | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-01-31 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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3VNO
| Cytochrome P450SP alpha (CYP152B1) mutant R241E | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-01-17 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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4LUD
| Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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3VTJ
| Cytochrome P450SP alpha (CYP152B1) mutant A245H | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-05-30 | Release date: | 2013-06-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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7F4Z
| X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ... | Authors: | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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7F50
| X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP | Descriptor: | CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ... | Authors: | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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4LM5
| Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-10 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4LMU
| Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002) | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-11 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4LL5
| Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-09 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4LUE
| Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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5ZLH
| Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | Authors: | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | Deposit date: | 2018-03-28 | Release date: | 2018-08-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
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1UFP
| Crystal Structure of an Artificial Metalloprotein:Fe(III)(3,3'-Me2-salophen)/apo-wild type Myoglobin | Descriptor: | Myoglobin, PHOSPHATE ION | Authors: | Ueno, T, Ohashi, M, Kono, M, Kondo, K, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2003-06-04 | Release date: | 2004-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) by Mutation of Ala71 to Gly in Apo-Myoglobin Inorg.Chem., 43, 2004
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5XHJ
| Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan | Descriptor: | 5-cyclohexylpentanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Suzuki, K, Shoji, O, Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-04-21 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Control of stereoselectivity of benzylic hydroxylation catalysed by wild-type cytochrome P450BM3 using decoy molecules CATALYSIS SCIENCE AND TECHNOLOGY, 7, 2017
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1UF2
| The Atomic Structure of Rice dwarf Virus (RDV) | Descriptor: | Core protein P3, Outer capsid protein P8, Structural protein P7 | Authors: | Nakagawa, A, Miyazaki, N, Taka, J, Naitow, H, Ogawa, A, Fujimoto, Z, Mizuno, H, Higashi, T, Watanabe, Y, Omura, T, Cheng, R.H, Tsukihara, T. | Deposit date: | 2003-05-23 | Release date: | 2003-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The atomic structure of rice dwarf virus reveals the self-assembly mechanism of component proteins. Structure, 11, 2003
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1UFJ
| Crystal Structure of an Artificial Metalloprotein:Fe(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin | Descriptor: | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', FE (III) ION, MYOGLOBIN, ... | Authors: | Ueno, T, Ohashi, M, Kono, M, Kondo, K, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2003-05-30 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) by Mutation of Ala71 to Gly in Apo-Myoglobin Inorg.Chem., 43, 2004
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3WSP
| Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan, ... | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activation of Wild-type Cytochrome P450BM3 by the Next Generation of Decoy Molecules: Enhanced Hydroxylation of Gaseous Alkanes and Crystallographic Evidence. ACS CATALYSIS, 5, 2015
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5YHJ
| Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | Descriptor: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-09-28 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017
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7Y9P
| Xylitol dehydrogenase S96C/S99C/Y102C mutant(thermostabilized form) from Pichia stipitis | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Yoshiwara, K, Watanabe, Y, Watanabe, S. | Deposit date: | 2022-06-25 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular evolutionary insight of structural zinc atom in yeast xylitol dehydrogenases and its application in bioethanol production by lignocellulosic biomass. Sci Rep, 13, 2023
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3W8O
| Crystal Structure of HasAp with Iron Phthalocyanine | Descriptor: | Heme acquisition protein HasAp, [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron | Authors: | Shirataki, C, Shoji, O, Terada, M, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2013-03-20 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
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3W8M
| Crystal Structure of HasAp with Iron Salophen | Descriptor: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp | Authors: | Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2013-03-19 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl., 53, 2014
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