7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/7c3g) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2020-05-12 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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6JUX
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![BU of 6jux by Molmil](/molmil-images/mine/6jux) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | Descriptor: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2019-04-15 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020
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6ACR
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![BU of 6acr by Molmil](/molmil-images/mine/6acr) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2018-07-27 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
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3WCK
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![BU of 3wck by Molmil](/molmil-images/mine/3wck) | Crystal structure of monomeric photosensitizing fluorescent protein, Supernova | Descriptor: | Monomeric photosenitizing fluorescent protein supernova | Authors: | Sakai, N, Matsuda, T, Takemoto, K, Nagai, T. | Deposit date: | 2013-05-27 | Release date: | 2013-10-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | SuperNova, a monomeric photosensitizing fluorescent protein for chromophore-assisted light inactivation Sci Rep, 3, 2013
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1J31
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![BU of 1j31 by Molmil](/molmil-images/mine/1j31) | Crystal Structure of Hypothetical Protein PH0642 from Pyrococcus horikoshii | Descriptor: | ACETATE ION, Hypothetical protein PH0642 | Authors: | Sakai, N, Tajika, Y, Yao, M, Watanabe, N, Tanaka, I. | Deposit date: | 2003-01-16 | Release date: | 2004-03-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of hypothetical protein PH0642 from Pyrococcus horikoshii at 1.6A resolution. Proteins, 57, 2004
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1ION
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![BU of 1ion by Molmil](/molmil-images/mine/1ion) | THE SEPTUM SITE-DETERMINING PROTEIN MIND COMPLEXED WITH MG-ADP FROM PYROCOCCUS HORIKOSHII OT3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROBABLE CELL DIVISION INHIBITOR MIND | Authors: | Sakai, N, Yao, M, Itou, H, Watanabe, N, Yumoto, F, Tanokura, M, Tanaka, I. | Deposit date: | 2001-03-21 | Release date: | 2001-09-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The three-dimensional structure of septum site-determining protein MinD from Pyrococcus horikoshii OT3 in complex with Mg-ADP. Structure, 9, 2001
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7WB8
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![BU of 7wb8 by Molmil](/molmil-images/mine/7wb8) | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Methoxytryptamine at Room Temperature | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB9
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![BU of 7wb9 by Molmil](/molmil-images/mine/7wb9) | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB6
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![BU of 7wb6 by Molmil](/molmil-images/mine/7wb6) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA2
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![BU of 7wa2 by Molmil](/molmil-images/mine/7wa2) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | Descriptor: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA0
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![BU of 7wa0 by Molmil](/molmil-images/mine/7wa0) | Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WBA
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![BU of 7wba by Molmil](/molmil-images/mine/7wba) | Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB7
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![BU of 7wb7 by Molmil](/molmil-images/mine/7wb7) | Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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3A8S
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![BU of 3a8s by Molmil](/molmil-images/mine/3a8s) | |
5NGN
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![BU of 5ngn by Molmil](/molmil-images/mine/5ngn) | Lybatide 2, a cystine-rich peptide from Lycium barbarum | Descriptor: | ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R. | Deposit date: | 2017-03-18 | Release date: | 2017-07-26 | Last modified: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold. Sci Rep, 7, 2017
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8GQ1
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![BU of 8gq1 by Molmil](/molmil-images/mine/8gq1) | HyHEL10 Fab complexed with hen egg lysozyme carrying arginine cluster in framework region of light chain. | Descriptor: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C, ... | Authors: | Matsuura, H, Hirata, K, Sakai, N, Nakakido, M, Tsumoto, K. | Deposit date: | 2022-08-28 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Arginine cluster introduction on framework region in anti-lysozyme antibody improved association rate constant by changing conformational diversity of CDR loops. Protein Sci., 32, 2023
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8X36
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![BU of 8x36 by Molmil](/molmil-images/mine/8x36) | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form B) | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | Deposit date: | 2023-11-12 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato. Chembiochem, 25, 2024
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8X35
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![BU of 8x35 by Molmil](/molmil-images/mine/8x35) | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form A) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | Deposit date: | 2023-11-12 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato. Chembiochem, 25, 2024
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8X37
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![BU of 8x37 by Molmil](/molmil-images/mine/8x37) | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, Neryl-diphosphate synthase 1 | Authors: | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | Deposit date: | 2023-11-12 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato. Chembiochem, 25, 2024
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4D4Z
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![BU of 4d4z by Molmil](/molmil-images/mine/4d4z) | STRUCTURE OF HUMAN DEOXYHYPUSINE HYDROXYLASE in complex with glycerol | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
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4D50
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![BU of 4d50 by Molmil](/molmil-images/mine/4d50) | Structure of human deoxyhypusine hydroxylase | Descriptor: | DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, GUANIDINE, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
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7BUR
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![BU of 7bur by Molmil](/molmil-images/mine/7bur) | Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin | Descriptor: | CITRIC ACID, Chalcone synthase 1, NARINGENIN | Authors: | Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T. | Deposit date: | 2020-04-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean. Proteins, 2020
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7BUS
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![BU of 7bus by Molmil](/molmil-images/mine/7bus) | Chalcone synthase from Glycine max (L.) Merr (soybean) | Descriptor: | Chalcone synthase | Authors: | Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T. | Deposit date: | 2020-04-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean. Proteins, 2020
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7C03
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![BU of 7c03 by Molmil](/molmil-images/mine/7c03) | Crystal structure of POLArISact(T57S), genetically encoded probe for fluorescent polarization | Descriptor: | POLArISact(T57S) | Authors: | Tomabechi, Y, Sakai, N, Shirouzu, M. | Deposit date: | 2020-04-30 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | POLArIS, a versatile probe for molecular orientation, revealed actin filaments associated with microtubule asters in early embryos. Proc.Natl.Acad.Sci.USA, 118, 2021
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7COZ
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![BU of 7coz by Molmil](/molmil-images/mine/7coz) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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