4HXP
 
 | | Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
|
|
3W6R
 | |
5MLW
 | |
2NLU
 | |
2N3K
 | | Human Brd4 ET domain in complex with MLV Integrase C-term | | Descriptor: | Bromodomain-containing protein 4, MLV integrase | | Authors: | Crowe, B.L, Foster, M.P. | | Deposit date: | 2015-06-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Brd4 ET domain bound to a C-terminal motif from gamma-retroviral integrases reveals a conserved mechanism of interaction.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4KXY
 | | Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ... | | Authors: | Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K. | | Deposit date: | 2013-05-28 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
|
|
4HXN
 | | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
|
|
3WPQ
 | |
4IA9
 | | Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
|
|
5MLI
 | |
2NP8
 | | Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors | | Descriptor: | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V. | | Deposit date: | 2006-10-26 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
4EIN
 | | Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate | | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate
PTERIDINES, 2013
|
|
4L4S
 | | Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain | | Authors: | Dempster, S, Harper, S, Moses, J.E, Dreveny, I. | | Deposit date: | 2013-06-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4L6S
 | | PARP complexed with benzo[1,4]oxazin-3-one inhibitor | | Descriptor: | (2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one, Poly [ADP-ribose] polymerase 1 | | Authors: | Dougan, D.R, Mol, C.D, Lawson, J.D. | | Deposit date: | 2013-06-12 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors
Bioorg.Med.Chem.Lett., 23, 2013
|
|
3W8H
 | |
4LDD
 | |
4ERZ
 | | X-ray structure of WDR5-MLL4 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-21 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
|
|
4PX9
 | | DEAD-box RNA helicase DDX3X Domain 1 with N-terminal ATP-binding Loop | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X | | Authors: | Epling, L.B, Grace, C.R, Lowe, B.R, Partridge, J.F, Enemark, E.J. | | Deposit date: | 2014-03-22 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Cancer-Associated Mutants of RNA Helicase DDX3X Are Defective in RNA-Stimulated ATP Hydrolysis.
J.Mol.Biol., 427, 2015
|
|
4Q7H
 | |
3WE2
 | |
4PYU
 | | The conserved ubiquitin-like protein hub1 plays a critical role in splicing in human cells | | Descriptor: | U4/U6.U5 tri-snRNP-associated protein 1, Ubiquitin-like protein 5 | | Authors: | Ammon, T, Mishra, S.K, Kowalska, K, Popowicz, G.M, Holak, T.A, Jentsch, S. | | Deposit date: | 2014-03-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells.
J Mol Cell Biol, 6, 2014
|
|
2NML
 | | Crystal structure of HEF2/ERH at 1.55 A resolution | | Descriptor: | Enhancer of rudimentary homolog | | Authors: | Jin, T.C, Guo, F, Serebriiskii, I.G, Howard, A.J, Zhang, Y.Z. | | Deposit date: | 2006-10-21 | | Release date: | 2006-10-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A 1.55 A resolution X-ray crystal structure of HEF2/ERH and insights into its transcriptional and cell-cycle interaction networks.
Proteins, 68, 2007
|
|
4KTV
 | | Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | Deposit date: | 2013-05-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
|
|
2ND0
 | |
5MEY
 | | Crystal structure of Smad4-MH1 bound to the GGCGC site. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | | Deposit date: | 2016-11-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
|
|
