7XIB
 
 | | Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-disordered form) | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ... | | Authors: | Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Structural basis for activation of DNMT1.
Nat Commun, 13, 2022
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2P02
 | | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 | | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2 | | Authors: | Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-28 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
To be Published
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4HAV
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2PB7
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7W3D
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Descriptor: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Authors: | Park, T.H, Lee, B.I. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
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2OU7
 | | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | | Descriptor: | ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | | Deposit date: | 2007-02-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
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7W3L
 | | Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) | | Descriptor: | 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Umehara, T. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
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2OWB
 | | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | | Deposit date: | 2007-02-15 | | Release date: | 2007-04-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the catalytic domain of human polo-like kinase 1.
Biochemistry, 46, 2007
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4JD2
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4JBO
 | | Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules | | Descriptor: | 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora kinase A | | Authors: | Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2013-02-20 | | Release date: | 2013-06-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2PX6
 | | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat | | Descriptor: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thioesterase domain | | Authors: | Pemble IV, C.W, Johnson, L.C, Kridel, S.J, Lowther, W.T. | | Deposit date: | 2007-05-14 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat.
Nat.Struct.Mol.Biol., 14, 2007
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4IIR
 | | Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | | Deposit date: | 2012-12-20 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
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4IOQ
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2P6N
 | | Human DEAD-box RNA helicase DDX41, helicase domain | | Descriptor: | ATP-dependent RNA helicase DDX41 | | Authors: | Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-19 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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2P9I
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4IOR
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2P9K
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4JGC
 | | Human TDG N140A mutant IN A COMPLEX WITH 5-carboxylcytosine (5caC) | | Descriptor: | 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid, G/T mismatch-specific thymine DNA glycosylase, oligonucleotide, ... | | Authors: | Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.582 Å) | | Cite: | Activity and crystal structure of human thymine DNA glycosylase mutant N140A with 5-carboxylcytosine DNA at low pH.
Dna Repair, 12, 2013
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2PJL
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4FU6
 | | Crystal structure of the PSIP1 PWWP domain | | Descriptor: | GLYCEROL, PC4 and SFRS1-interacting protein, SULFATE ION, ... | | Authors: | Qin, S, Tempel, W, Xu, C, Wu, H, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-28 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of the nucleosome-binding PWWP domain.
Trends Biochem.Sci., 39, 2014
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2Q9Q
 | | The crystal structure of full length human GINS complex | | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, GINS complex subunit 3, ... | | Authors: | Chang, Y.P, Wang, G, Chen, X.S. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structure of the GINS complex and functional insights into its role in DNA replication.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4FTG
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4JAI
 | | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | Deposit date: | 2013-02-18 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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7X6T
 | | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | | Descriptor: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Xiong, B. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
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7X9D
 | | DNMT3B in complex with harmine | | Descriptor: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B | | Authors: | Cho, C.-C, Yuan, H.S. | | Deposit date: | 2022-03-15 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Mechanistic Insights into Harmine-Mediated Inhibition of Human DNA Methyltransferases and Prostate Cancer Cell Growth.
Acs Chem.Biol., 18, 2023
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