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7V52
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BU of 7v52 by Molmil
Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V57
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BU of 7v57 by Molmil
Structure of AdaV
分子名称: 2-OXOGLUTARIC ACID, AdaV, CHLORIDE ION, ...
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V54
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BU of 7v54 by Molmil
Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V56
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BU of 7v56 by Molmil
Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V7X
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BU of 7v7x by Molmil
Structure of H194A AdaV
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, AdaV
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-22
公開日2022-08-31
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
分子名称: CITRATE ANION, Terminal nucleotidyltransferase 5B
著者Zhang, H, Hu, J.L, Gao, S.
登録日2019-04-26
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.693199 Å)
主引用文献FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
3FI2
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BU of 3fi2 by Molmil
Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451
分子名称: 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10
著者Habel, J.E.
登録日2008-12-10
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
8A4O
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BU of 8a4o by Molmil
Crystal structure of the Ustilago hordei effector protein Uvi2
分子名称: Effector protein Uvi2
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-06-13
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
8A14
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Crystal structure of the cerato-platanin-like protein Cpl1 from Ustilago maydis
分子名称: Cerato-platatanin-like protein 1
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-05-31
公開日2023-05-17
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-10
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
分子名称: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
分子名称: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
分子名称: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
分子名称: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
著者Habel, J.E.
登録日2009-01-15
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
分子名称: MoErs1
著者Wang, F.F, Xing, W.M.
登録日2021-10-25
公開日2023-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
3FI3
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BU of 3fi3 by Molmil
Crystal structure of JNK3 with indazole inhibitor, SR-3737
分子名称: 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10
著者Habel, J.E, Duckett, D, LoGrasso, P.
登録日2008-12-10
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
7FH5
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BU of 7fh5 by Molmil
Structure of AdaV
分子名称: AdaV, CHLORIDE ION, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-07-29
公開日2022-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
4EGH
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BU of 4egh by Molmil
Hsp90-alpha ATPase domain in complex with (4-Hydroxyphenyl)morpholin-4-yl methanone
分子名称: (4-hydroxyphenyl)(morpholin-4-yl)methanone, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Chen, W.J, Wood, S.P.
登録日2012-03-30
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors.
J Biomol Screen, 17, 2012

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