1ETN
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6IN4
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![BU of 6in4 by Molmil](/molmil-images/mine/6in4) | Crystal structure of apo DAPK1 in the presence of 18-crown-6 | Descriptor: | Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6IMZ
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![BU of 6imz by Molmil](/molmil-images/mine/6imz) | Crystal structure of MTH1 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6IN3
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![BU of 6in3 by Molmil](/molmil-images/mine/6in3) | Crystal structure of DOT1L in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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3W1F
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![BU of 3w1f by Molmil](/molmil-images/mine/3w1f) | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-11-14 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125) J.Med.Chem., 56, 2013
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6IN1
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![BU of 6in1 by Molmil](/molmil-images/mine/6in1) | Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, ... | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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1IPI
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6IN2
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![BU of 6in2 by Molmil](/molmil-images/mine/6in2) | Crystal structure of BRD1 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1 | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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5XNY
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![BU of 5xny by Molmil](/molmil-images/mine/5xny) | Crystal structure of CreD | Descriptor: | CreD | Authors: | Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y. | Deposit date: | 2017-05-25 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination FEBS J., 285, 2018
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5XNZ
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![BU of 5xnz by Molmil](/molmil-images/mine/5xnz) | Crystal structure of CreD complex with fumarate | Descriptor: | CreD, FUMARIC ACID | Authors: | Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y. | Deposit date: | 2017-05-25 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination FEBS J., 285, 2018
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6JMW
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![BU of 6jmw by Molmil](/molmil-images/mine/6jmw) | Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-13 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JLV
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![BU of 6jlv by Molmil](/molmil-images/mine/6jlv) | Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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3J6P
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![BU of 3j6p by Molmil](/molmil-images/mine/3j6p) | Pseudo-atomic model of dynein microtubule binding domain-tubulin complex based on a cryoEM map | Descriptor: | Dynein heavy chain, cytoplasmic, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Uchimura, S, Fujii, T, Takazaki, H, Ayukawa, R, Nishikawa, Y, Minoura, I, Hachikubo, Y, Kurisu, G, Sutoh, K, Kon, T, Namba, K, Muto, E. | Deposit date: | 2014-03-20 | Release date: | 2014-12-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | A flipped ion pair at the dynein-microtubule interface is critical for dynein motility and ATPase activation J.Cell Biol., 208, 2015
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2PCJ
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![BU of 2pcj by Molmil](/molmil-images/mine/2pcj) | Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5 | Descriptor: | Lipoprotein-releasing system ATP-binding protein lolD, SULFITE ION | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5 To be Published
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5YQ0
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![BU of 5yq0 by Molmil](/molmil-images/mine/5yq0) | Crystal structure of secreted protein CofJ from ETEC. | Descriptor: | CALCIUM ION, CofJ | Authors: | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | Deposit date: | 2017-11-04 | Release date: | 2018-06-27 | Last modified: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6JMH
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![BU of 6jmh by Molmil](/molmil-images/mine/6jmh) | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-10 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JO1
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![BU of 6jo1 by Molmil](/molmil-images/mine/6jo1) | Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine | Descriptor: | (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-19 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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5YPZ
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![BU of 5ypz by Molmil](/molmil-images/mine/5ypz) | Crystal structure of minor pilin CofB from CFA/III complexed with N-terminal peptide fragment of CofJ | Descriptor: | CofB, CofJ | Authors: | Oki, H, Kawahara, K, Maruno, T, Imai, T, Muroga, Y, Fukakusa, S, Iwashita, T, Kobayashi, Y, Matsuda, S, Kodama, T, Iida, T, Yoshida, T, Ohkubo, T, Nakamura, S. | Deposit date: | 2017-11-04 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.521 Å) | Cite: | Interplay of a secreted protein with type IVb pilus for efficient enterotoxigenicEscherichia colicolonization. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6IN0
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![BU of 6in0 by Molmil](/molmil-images/mine/6in0) | Crystal structure of EphA3 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, Ephrin type-A receptor 3 | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6JS8
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![BU of 6js8 by Molmil](/molmil-images/mine/6js8) | Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-04-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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2PPY
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![BU of 2ppy by Molmil](/molmil-images/mine/2ppy) | Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase | Authors: | Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-01 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426 To be Published
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5YUA
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![BU of 5yua by Molmil](/molmil-images/mine/5yua) | Crystal structure of voltage-gated sodium channel NavAb in high-pH condition | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHAPSO, ... | Authors: | Irie, K, Shimomura, T, Fujiyoshi, Y. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.80085564 Å) | Cite: | Structural insight on the voltage dependence of prokaryotic voltage gated sodium channel NavAb. FEBS Lett., 2017
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5YUC
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6K58
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![BU of 6k58 by Molmil](/molmil-images/mine/6k58) | Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-05-28 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JVC
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![BU of 6jvc by Molmil](/molmil-images/mine/6jvc) | Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-04-16 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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