1IT1
 
 | | Solution structures of ferrocytochrome c3 from Desulfovibrio vulgaris Miyazaki F | | Descriptor: | HEME C, cytochrome c3 | | Authors: | Harada, E, Fukuoka, Y, Ohmura, T, Fukunishi, A, Kawai, G, Fujiwara, T, Akutsu, H. | | Deposit date: | 2001-12-29 | | Release date: | 2002-07-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Redox-coupled conformational alternations in cytochrome c(3) from D. vulgaris Miyazaki F on the basis of its reduced solution structure.
J.Mol.Biol., 319, 2002
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3VQU
 | | 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
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1X03
 | | Crystal structure of endophilin BAR domain | | Descriptor: | SH3-containing GRB2-like protein 2 | | Authors: | Masuda, M, Takeda, S, Sone, M, Kamioka, Y, Mori, H, Mochizuki, N. | | Deposit date: | 2005-03-14 | | Release date: | 2006-05-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Endophilin BAR domain drives membrane curvature by two newly identified structure-based mechanisms
Embo J., 25, 2006
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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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1X04
 | | Crystal structure of endophilin BAR domain (mutant) | | Descriptor: | SH3-containing GRB2-like protein 2 | | Authors: | Masuda, M, Takeda, S, Sone, M, Kamioka, Y, Mori, H, Mochizuki, N. | | Deposit date: | 2005-03-14 | | Release date: | 2006-05-02 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Endophilin BAR domain drives membrane curvature by two newly identified structure-based mechanisms
Embo J., 25, 2006
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5B5W
 | | Crystal structure of MOB1-LATS1 NTR domain complex | | Descriptor: | MOB kinase activator 1B, Serine/threonine-protein kinase LATS1, ZINC ION | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.957 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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5B6B
 | | Complex of LATS1 and phosphomimetic MOB1b | | Descriptor: | CHLORIDE ION, MOB kinase activator 1B, Serine/threonine-protein kinase LATS1, ... | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-26 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.536 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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2ZFM
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2ZFK
 | | Crystal Structure of the Kif1A Motor Domain during Mg release: Mg-releasing Transition-2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Nitta, R, Okada, Y, Hirokawa, N. | | Deposit date: | 2008-01-08 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Structural model for strain-dependent microtubule activation of Mg-ADP release from kinesin.
Nat.Struct.Mol.Biol., 15, 2008
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2ZFL
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5B5V
 | | Structure of full-length MOB1b | | Descriptor: | CHLORIDE ION, MOB kinase activator 1B, ZINC ION | | Authors: | KIM, S.-Y, Tachioka, Y, Mori, T, Hakoshima, T. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Structural basis for autoinhibition and its relief of MOB1 in the Hippo pathway
Sci Rep, 6, 2016
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1Z9Q
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2ZFI
 | | Crystal Structure of the Kif1A Motor Domain Before Mg Release | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF1A, Kinesin heavy chain isoform 5C, ... | | Authors: | Nitta, R, Okada, Y, Hirokawa, N. | | Deposit date: | 2008-01-07 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural model for strain-dependent microtubule activation of Mg-ADP release from kinesin.
Nat.Struct.Mol.Biol., 15, 2008
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2ZFJ
 | | Crystal Structure of the Kif1A Motor Domain during Mg release: Mg-releasing Transition-1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF1A, Kinesin heavy chain isoform 5C, ... | | Authors: | Nitta, R, Okada, Y, Hirokawa, N. | | Deposit date: | 2008-01-08 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural model for strain-dependent microtubule activation of Mg-ADP release from kinesin.
Nat.Struct.Mol.Biol., 15, 2008
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7VPY
 | | Crystal structure of the neutralizing nanobody P86 against SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Nanobody, SULFATE ION | | Authors: | Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A. | | Deposit date: | 2021-10-18 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
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5YLT
 | | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
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7VQ0
 | | Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86 | | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A. | | Deposit date: | 2021-10-18 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
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5Z9W
 | | Ebola virus nucleoprotein-RNA complex | | Descriptor: | Ebolavirus nucleoprotein (residues 19-406), RNA (6-MER) | | Authors: | Sugita, Y, Matsunami, H, Kawaoka, Y, Noda, T, Wolf, M. | | Deposit date: | 2018-02-05 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of the Ebola virus nucleoprotein-RNA complex at 3.6 angstrom resolution.
Nature, 563, 2018
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7D36
 | | Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | | Deposit date: | 2020-09-18 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Eur.J.Med.Chem., 216, 2021
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1UEC
 | | Crystal structure of autoinhibited form of tandem SH3 domain of p47phox | | Descriptor: | Neutrophil cytosol factor 1 | | Authors: | Yuzawa, S, Suzuki, N.N, Fujioka, Y, Ogura, K, Sumimoto, H, Inagaki, F. | | Deposit date: | 2003-05-11 | | Release date: | 2003-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A molecular mechanism for autoinhibition of the tandem SH3 domains of p47phox, the regulatory subunit of the phagocyte NADPH oxidase
Genes Cells, 9, 2004
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3AGT
 | | Hemerythrin-like domain of DcrH (met) | | Descriptor: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | | Authors: | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | | Deposit date: | 2010-04-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
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3AGU
 | | Hemerythrin-like domain of DcrH (semimet-R) | | Descriptor: | CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | | Authors: | Onoda, A, Okamoto, Y, Sugimoto, H, Mizohata, E, Inoue, T, Shiro, Y, Hayashi, T. | | Deposit date: | 2010-04-06 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Characteristics of Diiron Site with Large Cavity in Hemerythrin-like Domain of DcrH
to be published
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7VIW
 | | Dark adapted MmCPDII during oxidized to semiquinone TR-SFX studies | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJ3
 | | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (400 us time-point) | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJC
 | | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (100 ns time-point) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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