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2WMS
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BU of 2wms by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMQ
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BU of 2wmq by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMX
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BU of 2wmx by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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BU of 2wmu by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
1OFC
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BU of 1ofc by Molmil
nucleosome recognition module of ISWI ATPase
分子名称: 4-deoxy-alpha-D-glucopyranose, GLYCEROL, ISWI PROTEIN, ...
著者Grune, T, Muller, C.W.
登録日2003-04-10
公開日2003-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure and Functional Analysis of a Nucleosome Recognition Module of the Remodeling Factor Iswi
Mol.Cell, 12, 2003
5VEY
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BU of 5vey by Molmil
Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708)
分子名称: E3 ubiquitin-protein ligase RNF169, Histone H2B type 1-J,Histone H2A type 1-B/E, Polyubiquitin-B
著者Hu, Q, Botuyan, M.V, Cui, G, Mer, G.
登録日2017-04-06
公開日2017-05-17
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
5VE8
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BU of 5ve8 by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H3 1-28
分子名称: Histone H3, Kap123
著者An, S, Yoon, J, Song, J.-J, Cho, U.-S.
登録日2017-04-04
公開日2017-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
2WMR
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BU of 2wmr by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
5VOF
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BU of 5vof by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
分子名称: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ...
著者Krishnaswamy, S, Kumar, S.
登録日2017-05-02
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
3TOA
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BU of 3toa by Molmil
Human MOF crystal structure with active site lysine partially acetylated
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ...
著者Yuan, H, Ding, E.C, Marmorstein, R.
登録日2011-09-04
公開日2011-11-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
1NCO
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BU of 1nco by Molmil
STRUCTURE OF THE ANTITUMOR PROTEIN-CHROMOPHORE COMPLEX NEOCARZINOSTATIN
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, HOLO-NEOCARZINOSTATIN, NEOCARZINOSTATIN-CHROMOPHORE
著者Kim, K.-H, Kwon, B.-M, Myers, A.G, Rees, D.C.
登録日1993-07-13
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of neocarzinostatin, an antitumor protein-chromophore complex.
Science, 262, 1993
3QV2
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BU of 3qv2 by Molmil
Structure Analysis of Entamoeba histolytica methyltransferase EhMeth
分子名称: 5-cytosine DNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Schulz, E.C, Roth, H.M, Ankri, S, Ficner, R.
登録日2011-02-25
公開日2012-04-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure Analysis of Entamoeba histolytica Methyltransferase
To be Published
3TO7
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BU of 3to7 by Molmil
Crystal structure of yeast Esa1 HAT domain bound to coenzyme A with active site lysine acetylated
分子名称: CACODYLIC ACID, COENZYME A, GLYCEROL, ...
著者Yuan, H, Ding, E.C, Marmorstein, R.
登録日2011-09-04
公開日2011-11-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TOB
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BU of 3tob by Molmil
Human MOF E350Q crystal structure with active site lysine partially acetylated
分子名称: CHLORIDE ION, ZINC ION, histone acetyltransferase MYST1
著者Yuan, H, Ding, E.C, Marmorstein, R.
登録日2011-09-04
公開日2011-11-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
6A6I
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BU of 6a6i by Molmil
Crystal structure of the winged-helix domain of Cockayne syndrome group B protein in complex with ubiquitin
分子名称: CHLORIDE ION, Excision repair cross-complementing rodent repair deficiency, complementation group 6 variant, ...
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2018-06-28
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of ubiquitin recognition by the winged-helix domain of Cockayne syndrome group B protein.
Nucleic Acids Res., 47, 2019
4C9X
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BU of 4c9x by Molmil
Crystal structure of NUDT1 (MTH1) with S-crizotinib
分子名称: 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
著者Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2013-10-03
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
3VHT
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BU of 3vht by Molmil
Crystal structure of GFP-Wrnip1 UBZ domain fusion protein in complex with ubiquitin
分子名称: Green fluorescent protein, Green fluorescent protein,ATPase WRNIP1, Ubiquitin, ...
著者Suzuki, N, Wakatsuki, S, Kawasaki, M.
登録日2011-09-06
公開日2012-10-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel mode of ubiquitin recognition by the ubiquitin-binding zinc finger domain of WRNIP1.
Febs J., 2016
3GZ5
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BU of 3gz5 by Molmil
Crystal structure of Shewanella oneidensis NrtR
分子名称: MutT/nudix family protein, SODIUM ION
著者Huang, N, Zhang, H.
登録日2009-04-06
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
1IXJ
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BU of 1ixj by Molmil
Crystal Structure of d(GCGAAAGCT) Containing Parallel-stranded Duplex with Homo Base Pairs and Anti-Parallel Duplex with Watson-Crick Base pairs
分子名称: 5'-D(*GP*CP*GP*AP*AP*AP*GP*CP*T)-3', COBALT HEXAMMINE(III), MAGNESIUM ION
著者Sunami, T, Kondo, J, Kobuna, T, Hirao, I, Watanabe, K, Miura, K, Takenaka, A.
登録日2002-06-22
公開日2002-12-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of d(GCGAAAGCT) Containing a Parallel-stranded Duplex with Homo Base Pairs and an Anti-Parallel Duplex with Watson-Crick Base pairs
Nucleic Acids Res., 30, 2002
5I0Z
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BU of 5i0z by Molmil
Crystal structure of the single domain catalytic antibody 3D8-VH
分子名称: catalytic DNA antibody
著者Park, S.Y, Kim, J.S.
登録日2016-02-04
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the single domain catalytic antibody 3D8-VH
To Be Published
3VHS
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BU of 3vhs by Molmil
Crystal structure of UBZ of human WRNIP1
分子名称: ATPase WRNIP1, SODIUM ION, ZINC ION
著者Suzuki, N, Wakatsuki, S, Kawasaki, M.
登録日2011-09-06
公開日2012-10-10
最終更新日2016-06-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel mode of ubiquitin recognition by the ubiquitin-binding zinc finger domain of WRNIP1.
Febs J., 2016
1ITG
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BU of 1itg by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES
分子名称: CACODYLATE ION, HIV-1 INTEGRASE
著者Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R.
登録日1994-11-21
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases.
Science, 266, 1994
5AYL
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BU of 5ayl by Molmil
Crystal structure of ERdj5 form II
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DnaJ homolog subfamily C member 10
著者Watanabe, S, Maegawa, K, Inaba, K.
登録日2015-08-22
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
7AOP
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BU of 7aop by Molmil
Structure of NUDT15 in complex with inhibitor TH8321
分子名称: 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15
著者Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P.
登録日2020-10-14
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
7AOM
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BU of 7aom by Molmil
Structure of NUDT15 in complex with Ganciclovir triphosphate
分子名称: Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15
著者Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P.
登録日2020-10-14
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021

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