5YJB
 
 | | LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile | | 分子名称: | 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Sato, S, Hashimoto, T, Matsuno, K, Umehara, T. | | 登録日 | 2017-10-10 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Crystal Structure of LSD1 in Complex with 4-[5-(Piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile.
Molecules, 23, 2018
|
|
1OQL
 | | Mistletoe Lectin I from Viscum album complexed with galactose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MISTLETOE LECTIN I, ... | | 著者 | Niwa, H, Tonevitsky, A.G, Agapov, I.I, Saward, S, Pfuller, U, Palmer, R.A. | | 登録日 | 2003-03-10 | | 公開日 | 2003-07-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure at 3 A of mistletoe lectin I, a dimeric type-II ribosome-inactivating protein, complexed with galactose
EUR.J.BIOCHEM., 270, 2003
|
|
9KLB
 | | G9a in complex with RK-133232 (compound 16g) | | 分子名称: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | 登録日 | 2024-11-14 | | 公開日 | 2025-05-21 | | 最終更新日 | 2025-06-04 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Discovery of potent substrate-type lysine methyltransferase G9a inhibitors for the treatment of sickle cell disease.
Eur.J.Med.Chem., 293, 2025
|
|
9KLC
 | | G9a in complex with the S-isomer of RK-131902 (racemic compound rac-10a) | | 分子名称: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | 登録日 | 2024-11-14 | | 公開日 | 2025-05-21 | | 最終更新日 | 2025-06-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of potent substrate-type lysine methyltransferase G9a inhibitors for the treatment of sickle cell disease.
Eur.J.Med.Chem., 293, 2025
|
|
8INL
 | | LSD1 in complex with S2172 | | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Niwa, H, Sato, S, Umehara, T. | | 登録日 | 2023-03-10 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Novel pharmacologic inhibition of lysine-specific demethylase 1 as a potential therapeutic for glioblastoma.
Cancer Gene Ther, 31, 2024
|
|
8Z7D
 | | Structure of G9a in complex with compound 9a | | 分子名称: | 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | 登録日 | 2024-04-20 | | 公開日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.581 Å) | | 主引用文献 | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
|
|
8Z7E
 | | Structure of G9a in complex with compound 9b | | 分子名称: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | 登録日 | 2024-04-20 | | 公開日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.545 Å) | | 主引用文献 | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
|
|
8Z7C
 | | Structure of G9a in complex with compound 7i | | 分子名称: | 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | 登録日 | 2024-04-20 | | 公開日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
|
|
2EI5
 | | Crystal Structure of Hypothetical protein(TTHA0061) from Thermus thermophilus | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Hypothetical protein TTHA0061 | | 著者 | Niwa, H, Kumarevel, T.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-03-12 | | 公開日 | 2007-09-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure of Hypothetical protein(TTHA0061) from Thermus thermophilus
To be Published
|
|
1IXZ
 | | Crystal structure of the FtsH ATPase domain from Thermus thermophilus | | 分子名称: | ATP-dependent metalloprotease FtsH, MERCURY (II) ION, SULFATE ION | | 著者 | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | 登録日 | 2002-07-10 | | 公開日 | 2002-11-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
|
|
1IY1
 | | Crystal structure of the FtsH ATPase domain with ADP from Thermus thermophilus | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent metalloprotease FtsH | | 著者 | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | 登録日 | 2002-07-10 | | 公開日 | 2002-11-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
|
|
1IY2
 | | Crystal structure of the FtsH ATPase domain from Thermus thermophilus | | 分子名称: | ATP-dependent metalloprotease FtsH, SULFATE ION | | 著者 | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | 登録日 | 2002-07-10 | | 公開日 | 2002-11-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
|
|
1IY0
 | | Crystal structure of the FtsH ATPase domain with AMP-PNP from Thermus thermophilus | | 分子名称: | ATP-dependent metalloprotease FtsH, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | 登録日 | 2002-07-10 | | 公開日 | 2002-11-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
|
|
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 | 2024-10-23 | | 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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
2Z1M
 | |
2Z95
 | |
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
|
|
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
|
|
