2WMS
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | | Authors: | 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. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMQ
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | 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. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMX
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | 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. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMU
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | 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. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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1OFC
 | | nucleosome recognition module of ISWI ATPase | | Descriptor: | 4-deoxy-alpha-D-glucopyranose, GLYCEROL, ISWI PROTEIN, ... | | Authors: | Grune, T, Muller, C.W. | | Deposit date: | 2003-04-10 | | Release date: | 2003-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure and Functional Analysis of a Nucleosome Recognition Module of the Remodeling Factor Iswi
Mol.Cell, 12, 2003
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5VEY
 | | Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708) | | Descriptor: | E3 ubiquitin-protein ligase RNF169, Histone H2B type 1-J,Histone H2A type 1-B/E, Polyubiquitin-B | | Authors: | Hu, Q, Botuyan, M.V, Cui, G, Mer, G. | | Deposit date: | 2017-04-06 | | Release date: | 2017-05-17 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
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5VE8
 | | Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H3 1-28 | | Descriptor: | Histone H3, Kap123 | | Authors: | An, S, Yoon, J, Song, J.-J, Cho, U.-S. | | Deposit date: | 2017-04-04 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
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2WMR
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | 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. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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5VOF
 | | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | | Descriptor: | 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, ... | | Authors: | Krishnaswamy, S, Kumar, S. | | Deposit date: | 2017-05-02 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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3TOA
 | | Human MOF crystal structure with active site lysine partially acetylated | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ... | | Authors: | Yuan, H, Ding, E.C, Marmorstein, R. | | Deposit date: | 2011-09-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
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1NCO
 | | STRUCTURE OF THE ANTITUMOR PROTEIN-CHROMOPHORE COMPLEX NEOCARZINOSTATIN | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, HOLO-NEOCARZINOSTATIN, NEOCARZINOSTATIN-CHROMOPHORE | | Authors: | Kim, K.-H, Kwon, B.-M, Myers, A.G, Rees, D.C. | | Deposit date: | 1993-07-13 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of neocarzinostatin, an antitumor protein-chromophore complex.
Science, 262, 1993
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3QV2
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3TO7
 | | Crystal structure of yeast Esa1 HAT domain bound to coenzyme A with active site lysine acetylated | | Descriptor: | CACODYLIC ACID, COENZYME A, GLYCEROL, ... | | Authors: | Yuan, H, Ding, E.C, Marmorstein, R. | | Deposit date: | 2011-09-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
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3TOB
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6A6I
 | | Crystal structure of the winged-helix domain of Cockayne syndrome group B protein in complex with ubiquitin | | Descriptor: | CHLORIDE ION, Excision repair cross-complementing rodent repair deficiency, complementation group 6 variant, ... | | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | | Deposit date: | 2018-06-28 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of ubiquitin recognition by the winged-helix domain of Cockayne syndrome group B protein.
Nucleic Acids Res., 47, 2019
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4C9X
 | | Crystal structure of NUDT1 (MTH1) with S-crizotinib | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2013-10-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
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3VHT
 | | Crystal structure of GFP-Wrnip1 UBZ domain fusion protein in complex with ubiquitin | | Descriptor: | Green fluorescent protein, Green fluorescent protein,ATPase WRNIP1, Ubiquitin, ... | | Authors: | Suzuki, N, Wakatsuki, S, Kawasaki, M. | | Deposit date: | 2011-09-06 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel mode of ubiquitin recognition by the ubiquitin-binding zinc finger domain of WRNIP1.
Febs J., 2016
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3GZ5
 | | Crystal structure of Shewanella oneidensis NrtR | | Descriptor: | MutT/nudix family protein, SODIUM ION | | Authors: | Huang, N, Zhang, H. | | Deposit date: | 2009-04-06 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
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1IXJ
 | | Crystal Structure of d(GCGAAAGCT) Containing Parallel-stranded Duplex with Homo Base Pairs and Anti-Parallel Duplex with Watson-Crick Base pairs | | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*AP*GP*CP*T)-3', COBALT HEXAMMINE(III), MAGNESIUM ION | | Authors: | Sunami, T, Kondo, J, Kobuna, T, Hirao, I, Watanabe, K, Miura, K, Takenaka, A. | | Deposit date: | 2002-06-22 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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5I0Z
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3VHS
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1ITG
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES | | Descriptor: | CACODYLATE ION, HIV-1 INTEGRASE | | Authors: | Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R. | | Deposit date: | 1994-11-21 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases.
Science, 266, 1994
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5AYL
 | | Crystal structure of ERdj5 form II | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DnaJ homolog subfamily C member 10 | | Authors: | Watanabe, S, Maegawa, K, Inaba, K. | | Deposit date: | 2015-08-22 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly dynamic nature of ERdj5 is essential for enhancement of the ER associated degradation
To Be Published
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7AOP
 | | Structure of NUDT15 in complex with inhibitor TH8321 | | Descriptor: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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7AOM
 | | Structure of NUDT15 in complex with Ganciclovir triphosphate | | Descriptor: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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