1X0J
 
 | | Crystal structure analysis of the N-terminal bromodomain of human Brd2 | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | 著者 | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-03-23 | | 公開日 | 2006-06-27 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for acetylated histone H4 recognition by the human Brd2 bromodomain
To be Published
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3VUZ
 | | Crystal structure of histone methyltransferase SET7/9 in complex with AAM-1 | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | 著者 | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | 登録日 | 2012-07-10 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
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3VV0
 | | Crystal structure of histone methyltransferase SET7/9 in complex with DAAM-3 | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | 著者 | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | 登録日 | 2012-07-10 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
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7X73
 | | Structure of G9a in complex with RK-701 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T. | | 登録日 | 2022-03-09 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
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5WRM
 | | Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y658 peptide | | 分子名称: | AP-2 complex subunit mu, Insulin receptor substrate 1 | | 著者 | Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S. | | 登録日 | 2016-12-02 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | | 主引用文献 | IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
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7XUA
 | | Structure of G9a in complex with compound 10a | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUB
 | | Structure of G9a in complex with compound 10d | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUC
 | | Structure of G9a in complex with compound 11a | | 分子名称: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUD
 | | Structure of G9a in complex with compound 26a | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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5X17
 | | Crystal structure of murine CK1d in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION | | 著者 | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | | 登録日 | 2017-01-25 | | 公開日 | 2017-10-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
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5WRL
 | | Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y628 peptide | | 分子名称: | AP-2 complex subunit mu, Insulin receptor substrate 1 | | 著者 | Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S. | | 登録日 | 2016-12-02 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.095 Å) | | 主引用文献 | IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
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1WG3
 | | Structural analysis of yeast nucleosome-assembly factor CIA1p | | 分子名称: | Anti-silencing protein 1 | | 著者 | Padmanabhan, B, Kataoka, K, Umehara, T, Adachi, N, Yokoyama, S, Horikoshi, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2004-05-27 | | 公開日 | 2005-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Similarity between Histone Chaperone Cia1p/Asf1p and DNA-Binding Protein NF-{kappa}B
J.Biochem.(Tokyo), 138, 2005
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7XE1
 | | Crystal structure of LSD2 in complex with cis-4-Br-PCPA | | 分子名称: | 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2022-03-29 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
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7XE2
 | | Crystal structure of LSD2 in complex with trans-4-Br-PCPA | | 分子名称: | 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2022-03-29 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
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7VQT
 | | Crystal structure of LSD1 in complex with compound 5 | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
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7VQS
 | | Crystal structure of LSD1 in complex with compound 4 | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
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7VQU
 | | Crystal structure of LSD1 in complex with compound S1427 | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T. | | 登録日 | 2021-10-20 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
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7W3L
 | | Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | | 分子名称: | 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2021-11-25 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
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7XE3
 | | Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | | 分子名称: | 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2022-03-29 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
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6KRO
 | | Tankyrase-2 in complex with RK-582 | | 分子名称: | 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2019-08-22 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
J.Med.Chem., 63, 2020
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5AYF
 | | Crystal structure of SET7/9 in complex with cyproheptadine | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | | 著者 | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | | 登録日 | 2015-08-20 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | | 主引用文献 | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016
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5ZQQ
 | | Tankyrase-2 in complex with compound 52 | | 分子名称: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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5ZQO
 | | Tankyrase-2 in complex with compound 1a | | 分子名称: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, SULFATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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5ZQP
 | | Tankyrase-2 in complex with compound 12 | | 分子名称: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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5ZQR
 | | Tankyrase-2 in complex with compound 40c | | 分子名称: | 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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