7UTY
 
 | | First bromodomain of BRD4 liganded with compound 2c | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2022-04-28 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
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3GJ8
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3B8D
 | | Fructose 1,6-bisphosphate aldolase from rabbit muscle | | Descriptor: | Fructose-bisphosphate aldolase A, SULFATE ION | | Authors: | Maurady, A, Sygusch, J. | | Deposit date: | 2007-11-01 | | Release date: | 2007-11-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A conserved glutamate residue exhibits multifunctional catalytic roles in D-fructose-1,6-bisphosphate aldolases.
J.Biol.Chem., 277, 2002
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3G0J
 | | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-28 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
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3B97
 | | Crystal Structure of human Enolase 1 | | Descriptor: | Alpha-enolase, MAGNESIUM ION, SULFATE ION | | Authors: | Kang, H.J, Jung, S.K, Kim, S.J, Chung, S.J. | | Deposit date: | 2007-11-02 | | Release date: | 2008-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human alpha-enolase (hENO1), a multifunctional glycolytic enzyme.
Acta Crystallogr.,Sect.D, 64, 2008
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3BDL
 | | Crystal structure of a truncated human Tudor-SN | | Descriptor: | CITRIC ACID, Staphylococcal nuclease domain-containing protein 1 | | Authors: | Li, C.L. | | Deposit date: | 2007-11-15 | | Release date: | 2008-08-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional insights into human Tudor-SN, a key component linking RNA interference and editing.
Nucleic Acids Res., 36, 2008
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7P4G
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7UJN
 | | Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog | | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | | Authors: | Huynh, K.W, Ammirati, M, Han, S. | | Deposit date: | 2022-03-31 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
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3GGC
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3BI7
 | | Crystal structure of the SRA domain of E3 ubiquitin-protein ligase UHRF1 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION, ... | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
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3GH0
 | | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2009-03-02 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
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4YUI
 | | Multiconformer synchrotron model of CypA at 180 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 (1.38 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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7UKZ
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7SYV
 | | Structure of the wt IRES eIF5B-containing pre-48S initiation complex, open conformation. Structure 14(wt) | | Descriptor: | 18S rRNA, 40S ribosomal protein S2, 40S ribosomal protein S21, ... | | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | Deposit date: | 2021-11-25 | | Release date: | 2022-07-20 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
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7OBQ
 | | SRP-SR at the distal site conformation | | Descriptor: | EM14S01-3B_G0054400.mRNA.1.CDS.1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jomaa, A, Ban, N. | | Deposit date: | 2021-04-23 | | Release date: | 2021-07-21 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle.
Cell Rep, 36, 2021
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4YUP
 | | Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 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 (1.75 Å) | | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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3E0C
 | | Crystal Structure of DNA Damage-Binding protein 1(DDB1) | | Descriptor: | DNA damage-binding protein 1 | | Authors: | Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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3AV4
 | | Crystal structure of mouse DNA methyltransferase 1 | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | | Authors: | Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S. | | Deposit date: | 2011-02-22 | | Release date: | 2011-05-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
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7UKN
 | | Crystal Structure of DDB1 in Complex with the H-Box Motif of pUL145 | | Descriptor: | DNA damage-binding protein 1, H-Box Motif of pUL145 | | Authors: | Wick, E.T, Treadway, C.J, Nicely, N.I, Li, Z, Ren, Z, Baldwin, A.S, Xiong, Y, Harrison, J.S, Brown, N.G. | | Deposit date: | 2022-04-01 | | Release date: | 2022-08-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insight into Viral Hijacking of CRL4 Ubiquitin Ligase through Structural Analysis of the pUL145-DDB1 Complex.
J.Virol., 96, 2022
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7V1U
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | Deposit date: | 2021-08-06 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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3GJ7
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7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | Deposit date: | 2021-08-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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7UZN
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
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4WVF
 | | Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Sun, Q, Chook, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
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3GJ3
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