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4WCG
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BU of 4wcg by Molmil
The binding mode of Cyprinid Herpesvirus3 ORF112-Zalpha to Z-DNA
分子名称: DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), ORF112, SULFATE ION
著者Kus, K, Athanasiadis, A.
登録日2014-09-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of the Cyprinid herpesvirus 3 ORF112-Z alpha Z-DNA Complex Reveals a Mechanism of Nucleic Acids Recognition Conserved with E3L, a Poxvirus Inhibitor of Interferon Response.
J.Biol.Chem., 290, 2015
4U6O
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BU of 4u6o by Molmil
STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2
分子名称: PHOSPHATE ION, Polymerase basic protein 2
著者Fukushima, K, Takimoto-Kamimura, M.
登録日2014-07-29
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2
To Be Published
4DOQ
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BU of 4doq by Molmil
Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Antileukoproteinase, CALCIUM ION, ...
著者Fukushima, K, Takimoto-Kamimura, M.
登録日2012-02-10
公開日2013-08-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure basis 1/2SLPI and porcine pancreas trypsin interaction
J.SYNCHROTRON RADIAT., 20, 2013
3VQU
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BU of 3vqu by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
分子名称: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
著者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.
登録日2012-03-30
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
3W1F
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BU of 3w1f by Molmil
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
分子名称: 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK
著者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.
登録日2012-11-14
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
3WZK
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BU of 3wzk by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WZJ
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
分子名称: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WYX
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BU of 3wyx by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
分子名称: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-09
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WYY
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BU of 3wyy by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
分子名称: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
登録日2014-09-10
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
1IYR
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BU of 1iyr by Molmil
NMR Structure Ensemble Of Dff-C Domain
分子名称: DNA FRAGMENTATION FACTOR ALPHA SUBUNIT
著者Fukushima, K, Kikuchi, J, Koshiba, S, Kigawa, T, Kuroda, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-09-05
公開日2002-09-25
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of the Dff-C Domain of Dff45/Icad. A Structural Basis for the Regulation of Apoptotic DNA Fragmentation
J.Mol.Biol., 321, 2002
1KOY
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BU of 1koy by Molmil
NMR structure of DFF-C domain
分子名称: DNA fragmentation factor alpha subunit
著者Fukushima, K, Kikuchi, J, Koshiba, S, Kigawa, T, Kuroda, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2001-12-25
公開日2002-09-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the DFF-C domain of DFF45/ICAD. A structural basis for the regulation of apoptotic DNA fragmentation.
J.Mol.Biol., 321, 2002
5XEJ
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BU of 5xej by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor bound to MTX
分子名称: (2~{R})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, Macrophage migration inhibitory factor, SULFATE ION
著者Takimoto-Kamimura, M, Fukushima, K.
登録日2017-04-05
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of macrophage migration inhibitory factor in complex with methotrexate.
Acta Crystallogr D Struct Biol, 77, 2021
5N4K
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BU of 5n4k by Molmil
N-terminal domain of a human Coronavirus NL63 nucleocapsid protein
分子名称: Nucleoprotein, SULFATE ION
著者Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G.
登録日2017-02-10
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
5EPW
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BU of 5epw by Molmil
C-Terminal Domain Of Human Coronavirus Nl63 Nucleocapsid Protein
分子名称: Nucleoprotein
著者Szelazek, B, Kabala, W, Kus, K, Zdzalik, M, Golik, P, Florek, D, Burmistrz, M, Pyrc, K, Dubin, G.
登録日2015-11-12
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
4HOB
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BU of 4hob by Molmil
The crystal structure of the Zalpha domain from Cyprinid Herpes virus 3
分子名称: Putative uncharacterized protein, SULFATE ION
著者Tome, A.R, Kus, K, de Rosa, M, Paulo, L.M, Figueiredo, D, Athanasiadis, A.
登録日2012-10-22
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of a poxvirus-like zalpha domain from cyprinid herpesvirus 3
J.Virol., 87, 2013
6L9C
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Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4
分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
著者Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T.
登録日2019-11-08
公開日2020-04-29
最終更新日2023-11-22
実験手法NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YCR
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BU of 6ycr by Molmil
Structure of human PD-L1 in complex with inhibitor
分子名称: FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1
著者Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G.
登録日2020-03-18
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint
Adv. Ther., 2020
6LL8
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Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mg-PNP form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, FLUORIDE ION, ...
著者Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K.
登録日2019-12-21
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
6LL7
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BU of 6ll7 by Molmil
Type II inorganic pyrophosphatase (PPase) from the psychrophilic bacterium Shewanella sp. AS-11, Mn-activated form
分子名称: CALCIUM ION, Inorganic pyrophosphatase, MANGANESE (II) ION
著者Horitani, M, Kusubayashi, K, Oshima, K, Yato, A, Sugimoto, H, Watanabe, K.
登録日2019-12-21
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray Crystallography and Electron Paramagnetic Resonance Spectroscopy Reveal Active Site Rearrangement of Cold-Adapted Inorganic Pyrophosphatase.
Sci Rep, 10, 2020
3U2J
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BU of 3u2j by Molmil
Neutron crystal structure of human Transthyretin
分子名称: Transthyretin
著者Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
登録日2011-10-03
公開日2012-02-22
最終更新日2023-11-01
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
3U2I
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X-ray crystal structure of human Transthyretin at room temperature
分子名称: Transthyretin
著者Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
登録日2011-10-03
公開日2012-02-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
8W48
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Neutron and X-ray joint structure of WT-TTR in complex with piceatannol
分子名称: PICEATANNOL, Transthyretin
著者Yokoyama, T, Kusaka, K, Fujiwara, S.
登録日2023-08-23
公開日2023-11-22
最終更新日2023-12-06
実験手法NEUTRON DIFFRACTION (1.19 Å), X-RAY DIFFRACTION
主引用文献Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
7VOS
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High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state
分子名称: AMMONIUM ION, GLYCEROL, High-potential iron-sulfur protein, ...
著者Hanazono, Y, Hirano, Y, Takeda, K, Kusaka, K, Tamada, T, Miki, K.
登録日2021-10-14
公開日2022-06-01
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (0.66 Å), X-RAY DIFFRACTION
主引用文献Revisiting the concept of peptide bond planarity in an iron-sulfur protein by neutron structure analysis.
Sci Adv, 8, 2022
6L46
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High-resolution neutron and X-ray joint refined structure of copper-containing nitrite reductase from Geobacillus thermodenitrificans
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Fukuda, Y, Hirano, Y, Kusaka, K, Inoue, T, Tamada, T.
登録日2019-10-16
公開日2020-02-12
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION
主引用文献High-resolution neutron crystallography visualizes an OH-bound resting state of a copper-containing nitrite reductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HNC
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Synchrotron X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels
分子名称: Lysozyme C
著者Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T.
登録日2016-01-18
公開日2016-07-20
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.
Acta Crystallogr D Struct Biol, 72, 2016

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