3WGW
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![BU of 3wgw by Molmil](/molmil-images/mine/3wgw) | Structure of PCNA bound to a small molecule inhibitor | Descriptor: | 4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol, Proliferating cell nuclear antigen, SULFATE ION | Authors: | Hashimoto, H. | Deposit date: | 2013-08-12 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin. J.Biol.Chem., 289, 2014
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2DDD
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![BU of 2ddd by Molmil](/molmil-images/mine/2ddd) | Unique behavior of a histidine responsible for an engineered green-to-red photoconversion process | Descriptor: | MAGNESIUM ION, SODIUM ION, photoconvertible fluorescent protein | Authors: | Shimizu, H, Tsutsui, H, Nukina, N, Miyawaki, A. | Deposit date: | 2006-01-27 | Release date: | 2006-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The E1 mechanism in photo-induced beta-elimination reactions for green-to-red conversion of fluorescent proteins Chem.Biol., 16, 2009
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2DDC
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![BU of 2ddc by Molmil](/molmil-images/mine/2ddc) | Unique behavior of a histidine responsible for an engineered green-to-red photoconversion process | Descriptor: | MAGNESIUM ION, SODIUM ION, photoconvertible fluorescent protein | Authors: | Shimizu, H, Tsutsui, H, Nukina, N, Miyawaki, A. | Deposit date: | 2006-01-27 | Release date: | 2006-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The E1 mechanism in photo-induced beta-elimination reactions for green-to-red conversion of fluorescent proteins. Chem.Biol., 16, 2009
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1HZY
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![BU of 1hzy by Molmil](/molmil-images/mine/1hzy) | HIGH RESOLUTION STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ... | Authors: | Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H. | Deposit date: | 2001-01-26 | Release date: | 2001-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta. Biochemistry, 40, 2001
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1I0B
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![BU of 1i0b by Molmil](/molmil-images/mine/1i0b) | HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ... | Authors: | Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta. Biochemistry, 40, 2001
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1I0D
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![BU of 1i0d by Molmil](/molmil-images/mine/1i0d) | HIGH RESOLUTION STRUCTURE OF THE ZINC/CADMIUM-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, CADMIUM ION, ... | Authors: | Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta. Biochemistry, 40, 2001
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1JGM
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![BU of 1jgm by Molmil](/molmil-images/mine/1jgm) | High Resolution Structure of the Cadmium-containing Phosphotriesterase from Pseudomonas diminuta | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, CADMIUM ION, ... | Authors: | Benning, M.M, Shim, H, Raushel, F.M, Holden, H.M. | Deposit date: | 2001-06-26 | Release date: | 2001-07-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta. Biochemistry, 40, 2001
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8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | Deposit date: | 2024-02-07 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 2024
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3A8R
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![BU of 3a8r by Molmil](/molmil-images/mine/3a8r) | The structure of the N-terminal regulatory domain of a plant NADPH oxidase | Descriptor: | CALCIUM ION, Putative uncharacterized protein | Authors: | Oda, T, Hashimoto, H, Kuwabara, N, Akashi, S, Hayashi, K, Kojima, C, Wong, H.L, Kawasaki, T, Shimamoto, K, Sato, M, Shimizu, T. | Deposit date: | 2009-10-07 | Release date: | 2009-10-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of the N-terminal regulatory domain of a plant NADPH oxidase and its functional implications J.Biol.Chem., 285, 2010
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1MK8
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![BU of 1mk8 by Molmil](/molmil-images/mine/1mk8) | Crystal Structure of a Mutant Cytochrome c Peroxidase showing a Novel Trp-Tyr Covalent Cross-link | Descriptor: | Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | Deposit date: | 2002-08-28 | Release date: | 2003-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase J.Mol.Biol., 328, 2003
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1MKQ
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![BU of 1mkq by Molmil](/molmil-images/mine/1mkq) | Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | Deposit date: | 2002-08-29 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase J.Mol.Biol., 328, 2003
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7XZR
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![BU of 7xzr by Molmil](/molmil-images/mine/7xzr) | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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7XZQ
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![BU of 7xzq by Molmil](/molmil-images/mine/7xzq) | Crystal structure of TNIK-thiopeptide TP1 complex | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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5H6L
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![BU of 5h6l by Molmil](/molmil-images/mine/5h6l) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6M
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![BU of 5h6m by Molmil](/molmil-images/mine/5h6m) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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3J3Z
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![BU of 3j3z by Molmil](/molmil-images/mine/3j3z) | Structure of MA28-7 neutralizing antibody Fab fragment from electron cryo-microscopy of enterovirus 71 complexed with a Fab fragment | Descriptor: | MA28-7 neutralizing antibody heavy chain, MA28-7 neutralizing antibody light chain | Authors: | Lee, H, Cifuente, J.O, Ashley, R.E, Conway, J.F, Makhov, A.M, Tano, Y, Shimizu, H, Nishimura, Y, Hafenstein, S. | Deposit date: | 2013-05-21 | Release date: | 2013-08-28 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (23.4 Å) | Cite: | A strain-specific epitope of enterovirus 71 identified by cryo-electron microscopy of the complex with fab from neutralizing antibody. J.Virol., 87, 2013
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5H6J
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![BU of 5h6j by Molmil](/molmil-images/mine/5h6j) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6K
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![BU of 5h6k by Molmil](/molmil-images/mine/5h6k) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6N
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![BU of 5h6n by Molmil](/molmil-images/mine/5h6n) | DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form | Descriptor: | Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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6KR6
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![BU of 6kr6 by Molmil](/molmil-images/mine/6kr6) | Crystal structure of Drosophila Piwi | Descriptor: | MERCURY (II) ION, Protein piwi, ZINC ION, ... | Authors: | Yamaguchi, S, Oe, A, Yamashita, K, Hirano, S, Mastumoto, N, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of Drosophila Piwi. Nat Commun, 11, 2020
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1GE9
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![BU of 1ge9 by Molmil](/molmil-images/mine/1ge9) | SOLUTION STRUCTURE OF THE RIBOSOME RECYCLING FACTOR | Descriptor: | RIBOSOME RECYCLING FACTOR | Authors: | Yoshida, T, Uchiyama, S, Nakano, H, Kashimori, H, Kijima, H, Ohshima, T, Saihara, Y, Ishino, T, Shimahara, T, Yoshida, T, Yokose, K, Ohkubo, T, Kaji, A, Kobayashi, Y. | Deposit date: | 2000-10-19 | Release date: | 2001-05-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the ribosome recycling factor from Aquifex aeolicus. Biochemistry, 40, 2001
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3VLA
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![BU of 3vla by Molmil](/molmil-images/mine/3vla) | Crystal structure of edgp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EDGP | Authors: | Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H. | Deposit date: | 2011-11-30 | Release date: | 2012-04-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor J.Biol.Chem., 287, 2012
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3VLB
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![BU of 3vlb by Molmil](/molmil-images/mine/3vlb) | Crystal structure of xeg-edgp | Descriptor: | EDGP, Xyloglucan-specific endo-beta-1,4-glucanase A | Authors: | Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H. | Deposit date: | 2011-11-30 | Release date: | 2012-04-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor J.Biol.Chem., 287, 2012
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6KBC
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![BU of 6kbc by Molmil](/molmil-images/mine/6kbc) | Crystal structure of CghA with Sch210972 | Descriptor: | (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid, CghA | Authors: | Hara, K, Hashimoto, H, Maeda, N, Sato, M, Watanabe, K. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Catalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels-Alderase Nat Catal, 2021
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6KJG
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![BU of 6kjg by Molmil](/molmil-images/mine/6kjg) | Crystal structure of PsoF | Descriptor: | Dual-functional monooxygenase/methyltransferase psoF | Authors: | Hara, K, Hashimoto, H, Matsushita, T, Tsunematsu, Y, Watanabe, K. | Deposit date: | 2019-07-22 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Functional and Structural Analyses oftrans C-Methyltransferase in Fungal Polyketide Biosynthesis. Biochemistry, 58, 2019
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