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4JDI
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BU of 4jdi by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Paktide S, ...
著者Ha, B.H, Boggon, T.J.
登録日2013-02-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDH
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BU of 4jdh by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate
分子名称: Paktide T, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2013-02-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDJ
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BU of 4jdj by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide T peptide substrate
分子名称: Paktide T, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2013-02-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDK
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BU of 4jdk by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide S peptide substrate
分子名称: Paktide S, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2013-02-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JCN
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BU of 4jcn by Molmil
Structure of ESP, serine protease from Staphylococcus epidermidis
分子名称: Glutamyl endopeptidase
著者Krishnan, V, Sthanam, V.L.N.
登録日2013-02-22
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Secreted proteases control autolysin-mediated biofilm growth of Staphylococcus aureus
J.Biol.Chem., 288, 2013
3FDR
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BU of 3fdr by Molmil
Crystal structure of TDRD2
分子名称: Tudor and KH domain-containing protein
著者Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-26
公開日2009-01-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-17
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRY
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BU of 5dry by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide]
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-16
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
分子名称: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-17
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
分子名称: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-16
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
7WNJ
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BU of 7wnj by Molmil
Crystal structure and Cap Binding analysis of the methyltransferase of Langat virus
分子名称: Core protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, C, Ruixue, L.
登録日2022-01-18
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of NS5 Methyltransferase from Zika Virus
To Be Published
7W5I
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BU of 7w5i by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1
分子名称: FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
登録日2021-11-30
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5J
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BU of 7w5j by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
分子名称: FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ...
著者Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
登録日2021-11-30
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5H
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BU of 7w5h by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FsPP
分子名称: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
著者Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
登録日2021-11-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5G
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BU of 7w5g by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic
分子名称: GLYCEROL, SULFATE ION, Terpene cyclase 6
著者Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
登録日2021-11-30
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5F
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BU of 7w5f by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic
分子名称: MAGNESIUM ION, Terpene cyclase 6
著者Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
登録日2021-11-30
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
3JZI
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BU of 3jzi by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series
分子名称: 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase
著者Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T.
登録日2009-09-23
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
4NRM
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BU of 4nrm by Molmil
Crystal structure of human ALKBH5 in complex with citrate and acetate
分子名称: ACETATE ION, CITRATE ANION, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRO
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BU of 4nro by Molmil
Crystal structure of human ALKBH5 in complex with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRQ
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BU of 4nrq by Molmil
Crystal structure of human ALKBH5 in complex with pyridine-2,4-dicarboxylate
分子名称: MANGANESE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
6E40
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BU of 6e40 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat
分子名称: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E42
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BU of 6e42 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole
分子名称: 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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