6QCG
 
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4Z96
 | | Crystal structure of DNMT1 in complex with USP7 | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Zhang, Z.M, Song, J. | | Deposit date: | 2015-04-09 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of DNMT1 in complex with USP7
To Be Published
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3SAF
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4ZA0
 | | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | | Descriptor: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | | Deposit date: | 2015-04-13 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
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4Z49
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3UCD
 | | Asymmetric complex of human neuron specific enolase-2-PGA/PEP | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ... | | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | | Deposit date: | 2011-10-26 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
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3UF1
 | | Crystal Structure of Vimentin (fragment 144-251) from Homo sapiens, Northeast Structural Genomics Consortium Target HR4796B | | Descriptor: | Vimentin | | Authors: | Kuzin, A, Abashidze, M, Vorobiev, S.M, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-10-31 | | Release date: | 2011-11-30 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and X-ray crystallography.
J.Biol.Chem., 287, 2012
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3UBW
 | | Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen | | Descriptor: | (3S)-pyrrolidin-3-ol, 14-3-3 protein epsilon, Myeloid leukemia factor 1, ... | | Authors: | Molzan, M, Weyand, M, Rose, R, Ottmann, C. | | Deposit date: | 2011-10-25 | | Release date: | 2012-01-25 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights of the MLF1/14-3-3 interaction.
Febs J., 279, 2012
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4Z7B
 | | Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2015-04-07 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
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3UKR
 | | Crystal structure of Bos taurus Arp2/3 complex with bound inhibitor CK-666 | | Descriptor: | 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... | | Authors: | Nolen, B.J, Han, M. | | Deposit date: | 2011-11-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton.
Chemmedchem, 7, 2012
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6QXH
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3W2C
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4ZC9
 | | Crystal Structure of the BRD4a/DB-2-190 complex | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide, Bromodomain-containing protein 4 | | Authors: | Seo, H.-S, DeAngelo, S, Bradner, J.E. | | Deposit date: | 2015-04-15 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | DRUG DEVELOPMENT. Phthalimide conjugation as a strategy for in vivo target protein degradation.
Science, 348, 2015
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6QXG
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6R4D
 | | Aurora-A in complex with shape-diverse fragment 58 | | Descriptor: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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3T1I
 | | Crystal Structure of Human Mre11: Understanding Tumorigenic Mutations | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Double-strand break repair protein MRE11A, GLYCEROL, ... | | Authors: | Park, Y.B, Chae, J, Kim, Y, Cho, Y. | | Deposit date: | 2011-07-22 | | Release date: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human mre11: understanding tumorigenic mutations
Structure, 19, 2011
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3SJM
 | | Crystal Structure Analysis of TRF2-Dbd-DNA complex | | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*GP*A)-3'), Telomeric repeat-binding factor 2 | | Authors: | Nair, S.K, Sliverman, S.K, Chen, J.H, Xiao, Y. | | Deposit date: | 2011-06-21 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal Structure Analysis of TRF2-Dbd-DNA complex
To be Published
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6RJ3
 | | Crystal structure of PHGDH in complex with compound 15 | | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | | Deposit date: | 2019-04-26 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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4ZTD
 | | Crystal Structure of Human PCNA in complex with a TRAIP peptide | | Descriptor: | ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen | | Authors: | Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A. | | Deposit date: | 2015-05-14 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress.
J.Cell Biol., 212, 2016
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3SAH
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3SAG
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4ZW1
 | | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | Liu, B, Zhang, S, Guo, M, Tian, M. | | Deposit date: | 2015-05-19 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer
To Be Published
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3SHV
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4YUK
 | | Multiconformer synchrotron model of CypA at 260 K | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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4YH4
 | | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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