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5XIS
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BU of 5xis by Molmil
Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form I
Descriptor: E3 ubiquitin-protein ligase RNF168, MAGNESIUM ION, Ubiquitin-40S ribosomal protein S27a, ...
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
5YDK
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BU of 5ydk by Molmil
Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, tetrameric form
Descriptor: E3 ubiquitin-protein ligase RNF168, GLYCEROL, Ubiquitin-40S ribosomal protein S27a
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-09-13
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.505 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168
Nat Commun, 9, 2018
5YJ9
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BU of 5yj9 by Molmil
Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ...
Authors:Okatsu, K, Sato, Y, Fukai, S.
Deposit date:2017-10-09
Release date:2018-07-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into ubiquitin phosphorylation by PINK1.
Sci Rep, 8, 2018
5ZNM
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BU of 5znm by Molmil
Colicin D Central Domain and C-terminal tRNase domain
Descriptor: Colicin-D, GLYCEROL, SULFATE ION
Authors:Chang, J.W, Sato, Y, Ogawa, T, Arakawa, T, Fukai, S, Fushinobu, S, Masaki, H.
Deposit date:2018-04-10
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the central and the C-terminal RNase domains of colicin D implicated its translocation pathway through inner membrane of target cell
J. Biochem., 164, 2018
7VNN
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BU of 7vnn by Molmil
Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with long stem
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, CALCIUM ION, CdtA
Authors:Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
7VNJ
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BU of 7vnj by Molmil
Complex structure of Clostridioides difficile enzymatic component (CDTa) and binding component (CDTb) pore with short stem
Descriptor: ADP-ribosylating binary toxin binding subunit CdtB, ADP-ribosyltransferase enzymatic component, CALCIUM ION
Authors:Yamada, T, Kawamoto, A, Yoshida, T, Sato, Y, Kato, T, Tsuge, H.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cryo-EM structures of the translocational binary toxin complex CDTa-bound CDTb-pore from Clostridioides difficile.
Nat Commun, 13, 2022
5XWU
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BU of 5xwu by Molmil
Crystal structure of PTPdelta Ig1-Ig3 in complex with SALM2 LRR-Ig
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
5XWS
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BU of 5xws by Molmil
Crystal structure of SALM5 LRR-Ig
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat and fibronectin type-III domain-containing protein 5
Authors:Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.084 Å)
Cite:Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
5XWT
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BU of 5xwt by Molmil
Crystal structure of PTPdelta Ig1-Fn1 in complex with SALM5 LRR-Ig
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.178 Å)
Cite:Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
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
Descriptor: 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION
Authors: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.
Deposit date:2012-03-30
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
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
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
Descriptor: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
Authors: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.
Deposit date:2014-09-09
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
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
Descriptor: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
Authors: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.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 3wzj by Molmil
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
Descriptor: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
Authors: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.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
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
Descriptor: (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
Authors: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.
Deposit date:2014-09-10
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3A58
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BU of 3a58 by Molmil
Crystal structure of Sec3p - Rho1p complex from Saccharomyces cerevisiae
Descriptor: Exocyst complex component SEC3, GTP-binding protein RHO1, MAGNESIUM ION, ...
Authors:Yamashita, M, Sato, Y, Yamagata, A, Mimura, H, Yoshikawa, A, Fukai, S.
Deposit date:2009-08-03
Release date:2010-01-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the Rho- and phosphoinositide-dependent localization of the exocyst subunit Sec3
Nat.Struct.Mol.Biol., 17, 2010
3VDR
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BU of 3vdr by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+)
Descriptor: (3R)-3-hydroxybutanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETOACETIC ACID, ...
Authors:Hoque, M.M, Shimizu, S, Juan, E.C.M, Sato, Y, Hossain, M.T, Yamamoto, T, Imamura, S, Amano, H, Suzuki, K, Sekiguchi, T, Tsunoda, M, Takenaka, A.
Deposit date:2012-01-06
Release date:2012-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of D-3-hydroxybutyrate dehydrogenase prepared in the presence of the substrate D-3-hydroxybutyrate and NAD+.
Acta Crystallogr.,Sect.F, 65, 2009
3A31
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BU of 3a31 by Molmil
Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix (selenomethionine derivative)
Descriptor: Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION
Authors:Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A.
Deposit date:2009-06-07
Release date:2009-10-27
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
3A32
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BU of 3a32 by Molmil
Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix
Descriptor: Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION
Authors:Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A.
Deposit date:2009-06-07
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
3A36
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BU of 3a36 by Molmil
Structural insight into the membrane insertion of tail-anchored proteins by Get3
Descriptor: ATPase GET3, ZINC ION
Authors:Yamagata, A, Mimura, H, Sato, Y, Yamashita, M, Yoshikawa, A, Fukai, S.
Deposit date:2009-06-10
Release date:2010-01-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the membrane insertion of tail-anchored proteins by Get3
Genes Cells, 15, 2010
3A1K
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BU of 3a1k by Molmil
Crystal structure of Rhodococcus sp. N771 Amidase
Descriptor: Amidase
Authors:Ohtaki, A, Noguchi, K, Sato, Y, Murata, K, Odaka, M, Yohda, M.
Deposit date:2009-04-09
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure and characterization of amidase from Rhodococcus sp. N-771: Insight into the molecular mechanism of substrate recognition
Biochim.Biophys.Acta, 1804, 2010
2Z6E
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BU of 2z6e by Molmil
Crystal Structure of Human DAAM1 FH2
Descriptor: Disheveled-associated activator of morphogenesis 1
Authors:Yamashita, M, Higashi, T, Sato, Y, Shirakawa, R, Kita, T, Horiuchi, H, Fukai, S, Nureki, O.
Deposit date:2007-07-31
Release date:2008-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human DAAM1 formin homology 2 domain
Genes Cells, 12, 2007
3A37
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BU of 3a37 by Molmil
Structural insight into the membrane insertion of tail-anchored proteins by Get3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase GET3, ZINC ION
Authors:Yamagata, A, Mimura, H, Sato, Y, Yamashita, M, Yoshikawa, A, Fukai, S.
Deposit date:2009-06-10
Release date:2010-01-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into the membrane insertion of tail-anchored proteins by Get3
Genes Cells, 15, 2010
3A1I
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BU of 3a1i by Molmil
Crystal structure of Rhodococcus sp. N-771 Amidase complexed with Benzamide
Descriptor: Amidase, BENZAMIDE
Authors:Ohtaki, A, Noguchi, K, Sato, Y, Murata, K, Odaka, M, Yohda, M.
Deposit date:2009-04-03
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Characterization of Amidase from Rhodococcus sp. N-771: Insight into the Molecular Mechanism of Substrate Recognition
Biochim.Biophys.Acta, 2009

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