Author results

7C3N
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CRYSTAL STRUCTURE OF JAK3 IN COMPLEX WITH DELGOCITINIB
Descriptor:Tyrosine-protein kinase JAK3, 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
Authors:Doi, S., Otira, T., Kikuwaka, M., Nomura, A., Noji, S., Adachi, T.
Deposit date:2020-05-13
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 2020
6M04
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STRUCTURE OF THE HUMAN HOMO-HEXAMERIC LRRC8D CHANNEL AT 4.36 ANGSTROMS
Descriptor:Volume-regulated anion channel subunit LRRC8D
Authors:Nakamura, R., Kasuya, G., Yokoyama, T., Shirouzu, M., Ishitani, R., Nureki, O.
Deposit date:2020-02-20
Release date:2020-06-17
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM structure of the volume-regulated anion channel LRRC8D isoform identifies features important for substrate permeation.
Commun Biol, 3, 2020
6JKQ
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI (LIGAND-FREE FORM)
Descriptor:Aspartate carbamoyltransferase
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JKR
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH CARBAMOYL PHOSPHATE (CP)
Descriptor:Aspartate carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, GLYCEROL
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JKS
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH CARBAMOYL PHOSPHATE (CP) AND ASPARTATE (ASP)
Descriptor:Aspartate carbamoyltransferase, putative, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JKT
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA).
Descriptor:Aspartate carbamoyltransferase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, GLYCEROL
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-01
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JL4
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH CARBAMOYL ASPARTATE (CA) AND PHOSPHATE (PI)
Descriptor:Aspartate carbamoyltransferase, N-CARBAMOYL-L-ASPARTATE, PHOSPHATE ION, ...
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-04
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JL5
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH ASPARTATE (ASP) AND PHOSPHATE (PI).
Descriptor:Aspartate carbamoyltransferase, PHOSPHATE ION, ASPARTIC ACID, ...
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-04
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6JL6
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CRYSTAL STRUCTURE OF ASPARTATE TRANSCARBAMOYLASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH PHOSPHATE (PI).
Descriptor:Aspartate carbamoyltransferase, ASPARTIC ACID, PHOSPHATE ION
Authors:Matoba, K., Shiba, T., Nara, T., Aoki, T., Nagasaki, S., Hayamizu, R., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Balogun, E.O., Inaoka, D.K., Kita, K., Harada, S.
Deposit date:2019-03-04
Release date:2020-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
6UCS
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DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTENT AND SELECTIVE WDR5 INHIBITORS CONTAINING A DIHYDROISOQUINOLINONE BICYCLIC CORE
Descriptor:WD repeat-containing protein 5, 7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one
Authors:Zhao, B.
Deposit date:2019-09-17
Release date:2020-01-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UFX
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WD REPEAT-CONTAINING PROTEIN 5 COMPLEXED WITH N-[(3,5-DIMETHOXYPHENYL)METHYL]-4'-FLUORO-5-{[(2E)-2-IMINO-3-METHYL-2,3-DIHYDRO-1H-IMIDAZOL-1-YL]METHYL}-2'-METHYL[1,1'-BIPHENYL]-3-CARBOXAMIDE (COMPOUND 13)
Descriptor:WD repeat-containing protein 5, N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide
Authors:Rietz, T.A., Fesik, S.W., Zhao, B.
Deposit date:2019-09-25
Release date:2020-01-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
5ZTF
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STRUCTURE OF CA2+ ATPASE
Descriptor:Sarcoplasmic/endoplasmic reticulum calcium ATPase 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Inoue, M., Watanabe, S., Inaba, K.
Deposit date:2018-05-03
Release date:2019-05-22
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay.
Cell Rep, 27, 2019
6JJU
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STRUCTURE OF CA2+ ATPASE
Descriptor:Sarcoplasmic/endoplasmic reticulum calcium ATPase 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Inoue, M., Sakuta, N., Watanabe, S., Inaba, K.
Deposit date:2019-02-27
Release date:2019-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay.
Cell Rep, 27, 2019
5ZDP
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CRYSTAL STRUCTURE OF CYANIDE-INSENSITIVE ALTERNATIVE OXIDASE FROM TRYPANOSOMA BRUCEI WITH FERULENOL
Descriptor:Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Shiba, T., Inaoka, D.K., Takahashi, G., Tsuge, C., Kido, Y., Young, L., Ueda, S., Balogun, E.O., Nara, T., Honma, T., Tanaka, A., Inoue, M., Saimoto, H., Harada, S., Moore, A.L., Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
5ZDQ
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CRYSTAL STRUCTURE OF CYANIDE-INSENSITIVE ALTERNATIVE OXIDASE FROM TRYPANOSOMA BRUCEI WITH COLLETOCHLORIN B
Descriptor:Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Shiba, T., Inaoka, D.K., Takahashi, G., Tsuge, C., Kido, Y., Young, L., Ueda, S., Balogun, E.O., Nara, T., Honma, T., Tanaka, A., Inoue, M., Saimoto, H., Harada, S., Moore, A.L., Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
5ZDR
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CRYSTAL STRUCTURE OF CYANIDE-INSENSITIVE ALTERNATIVE OXIDASE FROM TRYPANOSOMA BRUCEI WITH ASCOFURANONE DERIVATIVE
Descriptor:Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Shiba, T., Inaoka, D.K., Takahashi, G., Tsuge, C., Kido, Y., Young, L., Ueda, S., Balogun, E.O., Nara, T., Honma, T., Tanaka, A., Inoue, M., Saimoto, H., Harada, S., Moore, A.L., Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
5YTP
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CRYSTAL STRUCTURE OF TTHA0139 L34A FROM THERMUS THERMOPHILUS HB8
Descriptor:TTHA0139
Authors:Takao, K., Inoue, M., Fukui, K., Yano, T., Masui, R.
Deposit date:2017-11-19
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.457 Å)
Cite:Crystal Structure of TTHA0139 L34A from Thermus thermophilus HB8
To Be Published
5YTQ
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CRYSTAL STRUCTURE OF TTHA0139 L34A WITH LANTHANUM FROM THERMUS THERMOPHILUS HB8
Descriptor:TTHA0139, LANTHANUM (III) ION
Authors:Takao, K., Inoue, M., Fukui, K., Yano, T., Masui, R.
Deposit date:2017-11-19
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Crystal Structure of TTHA0139 L34A with Lanthanum from Thermus thermophilus HB8
To Be Published
5ZSU
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STRUCTURE OF THE HUMAN HOMO-HEXAMERIC LRRC8A CHANNEL AT 4.25 ANGSTROMS
Descriptor:Volume-regulated anion channel subunit LRRC8A
Authors:Kasuya, G., Nakane, T., Yokoyama, T., Shirouzu, M., Ishitani, R., Nureki, O.
Deposit date:2018-04-29
Release date:2018-08-15
Last modified:2018-09-26
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Cryo-EM structures of the human volume-regulated anion channel LRRC8.
Nat. Struct. Mol. Biol., 25, 2018
5GN5
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CRYSTAL STRUCTURE OF GLYCEROL KINASE FROM TRYPANOSOMA BRUCEI GAMBIENSE COMPLEXED WITH CUMARIN DERIVATIVE-17
Descriptor:Glycerol kinase, 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL
Authors:Balogun, E.O., Inaoka, D.K., Shiba, T., Tsuge, T., May, B., Sato, T., Kido, Y., Takeshi, N., Aoki, T., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Michels, P.A.M., Watanabe, Y., Moore, A.L., Harada, S., Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN6
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CRYSTAL STRUCTURE OF GLYCEROL KINASE FROM TRYPANOSOMA BRUCEI GAMBIENSE COMPLEXED WITH CUMARIN DERIVATIVE-17B
Descriptor:Glycerol kinase, 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL
Authors:Balogun, E.O., Inaoka, D.K., Shiba, T., Tsuge, T., May, B., Sato, T., Kido, Y., Takeshi, N., Aoki, T., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Michels, P.A.M., Watanabe, Y., Moore, A.L., Harada, S., Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN7
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CRYSTAL STRUCTURE OF ALTERNATIVE OXIDASE FROM TRYPANOSOMA BRUCEI BRUCEI COMPLEXED WITH CUMARIN DERIVATIVE-17
Descriptor:Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Balogun, E.O., Inaoka, D.K., Shiba, T., Tsuge, T., May, B., Sato, T., Kido, Y., Takeshi, N., Aoki, T., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Michels, P.A.M., Watanabe, Y., Moore, A.L., Harada, S., Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5GN9
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CRYSTAL STRUCTURE OF ALTERNATIVE OXIDASE FROM TRYPANOSOMA BRUCEI BRUCEI COMPLEXED WITH CUMARIN DERIVATIVE-17B
Descriptor:Alternative oxidase, mitochondrial, FE (III) ION, ...
Authors:Balogun, E.O., Inaoka, D.K., Shiba, T., Tsuge, T., May, B., Sato, T., Kido, Y., Takeshi, N., Aoki, T., Honma, T., Tanaka, A., Inoue, M., Matsuoka, S., Michels, P.A.M., Watanabe, Y., Moore, A.L., Harada, S., Kita, K.
Deposit date:2016-07-19
Release date:2017-07-26
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
5H45
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CRYSTAL STRUCTURE OF THE C-TERMINAL LON PROTEASE-LIKE DOMAIN OF THERMUS THERMOPHILUS RADA/SMS
Descriptor:DNA repair protein RadA
Authors:Inoue, M., Fukui, K., Fujii, Y., Nakagawa, N., Yano, T., Kuramitsu, S., Masui, R.
Deposit date:2016-10-30
Release date:2017-05-03
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Lon protease-like domain in the bacterial RecA paralog RadA is required for DNA binding and repair.
J. Biol. Chem., 292, 2017
5GVQ
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SOLUTION STRUCTURE OF THE FIRST RRM DOMAIN OF HUMAN SPLICEOSOMAL PROTEIN SF3B49
Descriptor:Splicing factor 3B subunit 4
Authors:Kuwasako, K., Nameki, N., Tsuda, K., Takahashi, M., Sato, A., Tochio, N., Inoue, M., Terada, T., Kigawa, T., Kobayashi, N., Shirouzu, M., Ito, T., Sakamoto, T., Wakamatsu, K., Guntert, P., Takahashi, S., Yokoyama, S., Muto, Y., RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2016-09-06
Release date:2017-04-12
Method:SOLUTION NMR
Cite:Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment.
Protein Sci., 26, 2017