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PDB: 19 件
5CJ9
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Bacillus halodurans Arginine repressor, ArgR
分子名称: Arginine repressor, S-1,2-PROPANEDIOL
著者Park, Y.W, Kang, J, Yeo, H.Y, Lee, J.Y.
登録日2015-07-14
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Structural Analysis and Insights into the Oligomeric State of an Arginine-Dependent Transcriptional Regulator from Bacillus halodurans.
Plos One, 11, 2016
5ZZ6
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Redox-sensing transcriptional repressor Rex
分子名称: ADENOSINE-5'-DIPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Redox-sensing transcriptional repressor Rex 1
著者Park, Y.W, Jang, Y.Y, Joo, H.K, Lee, J.Y.
登録日2018-05-30
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis of Redox-sensing Transcriptional Repressor Rex from Thermotoga maritima
Sci Rep, 8, 2018
5ZZ7
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Redox-sensing transcriptional repressor Rex
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Redox-sensing transcriptional repressor Rex 1
著者Park, Y.W, Jang, Y.Y, Joo, H.K, Lee, J.Y.
登録日2018-05-30
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Analysis of Redox-sensing Transcriptional Repressor Rex from Thermotoga maritima
Sci Rep, 8, 2018
5ZZ5
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Redox-sensing transcriptional repressor Rex
分子名称: GLYCEROL, Redox-sensing transcriptional repressor Rex
著者Park, Y.W, Jang, Y.Y, Joo, H.K, Lee, J.Y.
登録日2018-05-30
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Redox-sensing Transcriptional Repressor Rex from Thermotoga maritima
Sci Rep, 8, 2018
7WB3
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Crystal structure of T. maritima Rex in ternary complex
分子名称: DNA (5'-D(*AP*TP*TP*TP*GP*AP*GP*AP*AP*AP*TP*TP*TP*AP*TP*CP*AP*CP*AP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*TP*GP*AP*TP*AP*AP*AP*TP*TP*TP*CP*TP*CP*AP*AP*AP*T)-3'), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Lee, J.Y, Jeong, K.H, Lee, H.J, Park, Y.W.
登録日2021-12-15
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural Basis of Redox-Sensing Transcriptional Repressor Rex with Cofactor NAD + and Operator DNA.
Int J Mol Sci, 23, 2022
7CV2
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BU of 7cv2 by Molmil
Crystal structure of B. halodurans NiaR in niacin-bound form
分子名称: NICOTINIC ACID, Transcriptional regulator NiaR, ZINC ION
著者Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H.
登録日2020-08-25
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
4Q16
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Structure of NAD+ Synthetase from Deinococcus radiodurans
分子名称: NH(3)-dependent NAD(+) synthetase, SULFATE ION
著者Lee, J.Y, Park, Y.W.
登録日2014-04-03
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of the NH3-dependent NAD+ Synthetase from Deinococcus radiodurans
To be Published
7CV0
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BU of 7cv0 by Molmil
Crystal structure of B. halodurans NiaR in apo form
分子名称: Transcriptional regulator NiaR, ZINC ION
著者Lee, J.Y, Lee, D.W, Park, Y.W, Lee, M.Y, Jeong, K.H.
登録日2020-08-25
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural analysis and insight into effector binding of the niacin-responsive repressor NiaR from Bacillus halodurans.
Sci Rep, 10, 2020
5GP9
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Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans
分子名称: GLYCEROL, MAGNESIUM ION, PALMITIC ACID, ...
著者Lee, J.Y, Yeo, H.K, Park, Y.W.
登録日2016-08-01
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Structural basis of operator sites recognition and effector binding in the TetR family transcription regulator FadR.
Nucleic Acids Res., 45, 2017
5H38
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Structural analysis of KSHV thymidylate synthase
分子名称: ORF70, PHOSPHATE ION
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
5GPA
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BU of 5gpa by Molmil
Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans
分子名称: GLYCEROL, MAGNESIUM ION, Transcriptional regulator (TetR/AcrR family)
著者Lee, J.Y, Yeo, H.K, Park, Y.W.
登録日2016-08-01
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural basis of operator sites recognition and effector binding in the TetR family transcription regulator FadR.
Nucleic Acids Res., 45, 2017
5H3A
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BU of 5h3a by Molmil
Structural analysis of KSHV thymidylate synthase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70, TOMUDEX
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
5H39
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Structural analysis of KSHV thymidylate synthase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
7CHT
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BU of 7cht by Molmil
Crystal structure of TTK kinase domain in complex with compound 30
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHM
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BU of 7chm by Molmil
Crystal structure of TTK kinase domain in complex with compound 8
分子名称: 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHN
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BU of 7chn by Molmil
Crystal structure of TTK kinase domain in complex with compound 9
分子名称: 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-06
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CLH
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BU of 7clh by Molmil
Crystal structure of TTK kinase domain in complex with compound 19
分子名称: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-21
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CJA
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BU of 7cja by Molmil
Crystal structure of TTK kinase domain in complex with compound 28
分子名称: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-09
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CIL
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BU of 7cil by Molmil
Crystal structure of TTK kinase domain in complex with compound 7
分子名称: 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
著者Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
登録日2020-07-07
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021

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