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7TBH
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cryo-EM structure of MBP-KIX-apoferritin complex with peptide 7
Descriptor: Isoform 2 of CREB-binding protein,Ferritin heavy chain, N-terminally processed, LEU-SER-ARG-ARG-PRO-SEP-TYR-ARG-LYS-ILE-LEU-ASN-ASP-LEU-SER-SER-ASP-ALA-PRO
Authors:Zhang, K, Horikoshi, N, Li, S, Powers, A, Hameedi, M, Pintilie, G, Chae, H, Khan, Y, Suomivuori, C, Dror, R, Sakamoto, K, Chiu, W, Wakatsuki, S.
Deposit date:2021-12-22
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM, Protein Engineering, and Simulation Enable the Development of Peptide Therapeutics against Acute Myeloid Leukemia.
Acs Cent.Sci., 8, 2022
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-08-05
Release date:2023-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
7ZAU
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BU of 7zau by Molmil
Fascin-1 in complex with Nb 3E11
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fascin, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2022-03-22
Release date:2023-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A nanobody inhibitor of Fascin-1 actin-bundling activity and filopodia formation.
Open Biology, 14, 2024
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
Descriptor: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
Authors:Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
Deposit date:2021-12-07
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
Descriptor: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZVX
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BU of 7zvx by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution
Descriptor: 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZIR
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BU of 7zir by Molmil
Cryo-EM structure of hnRNPDL amyloid fibrils
Descriptor: Heterogeneous nuclear ribonucleoprotein D-like
Authors:Garcia-Pardo, J, Chaves-Sanjuan, A, Bartolome-Nafria, A, Gil-Garcia, M, Visentin, C, Bolognesi, M, Ricagno, S, Ventura, S.
Deposit date:2022-04-08
Release date:2022-12-28
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure of hnRNPDL-2 fibrils, a functional amyloid associated with limb-girdle muscular dystrophy D3.
Nat Commun, 14, 2023
8A4I
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BU of 8a4i by Molmil
Crystal structure of SALL4 zinc finger cluster 4 with AT-rich DNA
Descriptor: DNA (5'-D(*GP*AP*TP*AP*TP*TP*AP*AP*TP*AP*TP*C)-3'), MAGNESIUM ION, Sal-like protein 4, ...
Authors:Watson, J.A, Pantier, R, Jayachandran, U, Chhatbar, K, Alexander-Howden, B, Kruusvee, V, Prendecki, M, Bird, A, Cook, A.G.
Deposit date:2022-06-11
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome.
Life Sci Alliance, 6, 2023
7ZTL
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BU of 7ztl by Molmil
Crystal structure of a covalently linked Aurora-A N-Myc complex
Descriptor: 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Diebold, M, Schindelin, H.
Deposit date:2022-05-11
Release date:2023-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a covalently linked Aurora-A-MYCN complex.
Acta Crystallogr D Struct Biol, 79, 2023
7TA8
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BU of 7ta8 by Molmil
NMR structure of crosslinked cyclophilin A
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M.
Deposit date:2021-12-20
Release date:2022-06-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
7ZUG
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BU of 7zug by Molmil
Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain
Descriptor: CHLORIDE ION, Heterogeneous nuclear ribonucleoprotein H, N-terminally processed, ...
Authors:Winter, N, Kumar, M, Isupov, M.N, Wiener, R.
Deposit date:2022-05-12
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.075 Å)
Cite:Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain
To Be Published
7ZHS
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BU of 7zhs by Molmil
3D reconstruction of the cylindrical assembly of DnaJA2 delta G/F by imposing D5 symmetry
Descriptor: Ubiquitin-like protein SMT3,DnaJ homolog subfamily A member 2, ZINC ION
Authors:Cuellar, J, Velasco-Carneros, L, Santiago, C, Martin-Benito, J, Valpuesta, J, Muga, A.
Deposit date:2022-04-07
Release date:2023-07-26
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70.
Nat Commun, 14, 2023
7U9Y
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BU of 7u9y by Molmil
WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.
Deposit date:2022-03-11
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
8AXZ
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BU of 8axz by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, ADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Nawrotek, A, Vuillard, L, Miallau, L.
Deposit date:2022-09-01
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.154 Å)
Cite:Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.
To Be Published
7U5M
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BU of 7u5m by Molmil
Cryo-EM Structure of GAPDH
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Morgan, C.E, Zhang, Z, Yu, E.W.
Deposit date:2022-03-02
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:Toward structural-omics of the bovine retinal pigment epithelium.
Cell Rep, 41, 2022
8AJM
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BU of 8ajm by Molmil
Structure of human DDB1-DCAF12 in complex with the C-terminus of CCT5
Descriptor: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, T-complex protein 1 subunit epsilon
Authors:Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H.
Deposit date:2022-07-28
Release date:2022-11-09
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
8AJN
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BU of 8ajn by Molmil
Structure of the human DDB1-DCAF12 complex
Descriptor: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1
Authors:Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H.
Deposit date:2022-07-28
Release date:2022-11-09
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
8AJO
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BU of 8ajo by Molmil
Negative-stain electron microscopy structure of DDB1-DCAF12-CCT5
Descriptor: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, T-complex protein 1 subunit epsilon
Authors:Pla-Prats, C, Cavadini, S, Kempf, G, Thoma, N.H.
Deposit date:2022-07-28
Release date:2022-11-09
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (30.6 Å)
Cite:Recognition of the CCT5 di-Glu degron by CRL4 DCAF12 is dependent on TRiC assembly.
Embo J., 42, 2023
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-03-08
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
8ASC
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BU of 8asc by Molmil
Ku70/80 binds to the Ku-binding motif of PAXX
Descriptor: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ...
Authors:Seif El Dahan, M, Ropars, V, Charbonnier, J.B.
Deposit date:2022-08-19
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7UJN
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BU of 7ujn by Molmil
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
7UKZ
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BU of 7ukz by Molmil
CDK11 in complex with small molecule inhibitor OTS964
Descriptor: Cyclin-dependent kinase 11B, OTS964, SULFATE ION
Authors:Kelso, S, Sicheri, F.
Deposit date:2022-04-03
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the CDK11 kinase domain bound to the small-molecule inhibitor OTS964.
Structure, 30, 2022
7UKN
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BU of 7ukn by Molmil
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
7V1U
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BU of 7v1u by Molmil
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
8AEL
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BU of 8ael by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (3mer).
Descriptor: CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ...
Authors:Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
Deposit date:2022-07-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published

223532

건을2024-08-07부터공개중

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