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8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
Descriptor: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
Authors:Suzuki, M, Yoneyama, T, Imai, E.
Deposit date:2023-02-20
Release date:2023-03-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF8
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BU of 7ff8 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
7FF9
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BU of 7ff9 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-23
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
8C3A
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BU of 8c3a by Molmil
Crystal structure of ailanthone bound to the Candida albicans 80S ribosome
Descriptor: 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Kolosova, O, Zgadzay, Y, Yusupov, M.
Deposit date:2022-12-23
Release date:2024-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:New crystal system to promote screening for new eukaryotic inhibitors
To Be Published
8CRE
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BU of 8cre by Molmil
Crystal structure of the Candida albicans 80S ribosome in complex with geneticin G418
Descriptor: 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Kolosova, O, Zgadzay, Y, Yusupov, M.
Deposit date:2023-03-08
Release date:2024-09-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Drug-induced rotational movement of the ribosome is a key factor for read-through enhancement
To Be Published
8CQ7
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BU of 8cq7 by Molmil
Crystal structure of phyllanthoside bound to the Candida albicans 80S ribosome
Descriptor: 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Kolosova, O, Zgadzay, Y, Yusupov, M.
Deposit date:2023-03-03
Release date:2024-09-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Drug-induced rotational movement of the ribosome is a key factor for read-through enhancement
To Be Published
8E1F
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BU of 8e1f by Molmil
Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
Descriptor: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
To Be Published
5TN2
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BU of 5tn2 by Molmil
Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis
Descriptor: HTH-type transcriptional regulator SinR
Authors:Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J.
Deposit date:2016-10-13
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
5TN0
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BU of 5tn0 by Molmil
Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis
Descriptor: HTH-type transcriptional regulator SinR
Authors:Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J.
Deposit date:2016-10-13
Release date:2017-10-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
7XI7
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BU of 7xi7 by Molmil
Human dihydrofolate reductase complexed with P39
Descriptor: 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2022-04-12
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7XX6
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BU of 7xx6 by Molmil
Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
Descriptor: CALCIUM ION, DNA (169-MER), Histone H1.0, ...
Authors:Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A.
Deposit date:2022-05-28
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
To Be Published
7XVL
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BU of 7xvl by Molmil
Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment)
Descriptor: DNA (169-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A.
Deposit date:2022-05-24
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.506 Å)
Cite:Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment)
To Be Published
7XUZ
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BU of 7xuz by Molmil
Crystal structure of a HDAC4-MEF2A-DNA ternary complex
Descriptor: DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*A)-3'), Histone deacetylase 4, ...
Authors:Dai, S.Y, Guo, L, Dey, R, Guo, M, Bates, D, Cayford, J, Chen, X.J, Wei, X.D, Chen, L, Chen, Y.H.
Deposit date:2022-05-20
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.591 Å)
Cite:Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation.
Nucleic Acids Res., 52, 2024
7DBP
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BU of 7dbp by Molmil
Linker histone defines structure and self-association behaviour of the 177 bp human chromosome
Descriptor: DNA (175-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Wang, S, Vogirala, K.V, Soman, A, Liu, Z.B.
Deposit date:2020-10-21
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Linker histone defines structure and self-association behaviour of the 177 bp human chromatosome.
Sci Rep, 11, 2021
2PSN
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BU of 2psn by Molmil
Crystal structure of enolase1
Descriptor: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
Authors:Hyo, J.K, Seung, J.K, Sang, J.C.
Deposit date:2007-05-07
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Enolase1 alpha
To be Published
1TQE
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BU of 1tqe by Molmil
Mechanism of recruitment of class II histone deacetylases by myocyte enhancer factor-2
Descriptor: Histone deacetylase 9, MEF2 binding site of nur77 promoter, Myocyte-specific enhancer factor 2B
Authors:Chen, L, Han, A, He, J, Wu, Y, Liu, J.O.
Deposit date:2004-06-17
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Recruitment of Class II Histone Deacetylases by Myocyte Enhancer Factor-2.
J.Mol.Biol., 345, 2005
3Q3S
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BU of 3q3s by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM5683
Descriptor: 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide, HTH-type transcriptional regulator EthR
Authors:Lens, Z, Willand, N, Villeret, V.
Deposit date:2010-12-22
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:EthR from Mycobacterium tuberculosis in complex with compound BDM5683
To be Published
8P2P
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BU of 8p2p by Molmil
Polymeric form of the BTB domain of human ZBTB18
Descriptor: Zinc finger and BTB domain-containing protein 18
Authors:Coste, F, Mance, L, Pukalo, Z, Suskiewicz, M.J.
Deposit date:2023-05-16
Release date:2024-06-05
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Polymeric form of the BTB domain of human ZBTB18
To Be Published
6Z1B
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BU of 6z1b by Molmil
Structure of K52-acetylated RutR in complex with uracil.
Descriptor: 1,2-ETHANEDIOL, HTH-type transcriptional regulator RutR, URACIL
Authors:Kremer, M, Schulze, S, Lammers, M.
Deposit date:2020-05-13
Release date:2022-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of K52-acetylated RutR in complex with uracil.
To Be Published
5X5D
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BU of 5x5d by Molmil
Human thymidylate synthase bound with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
6BY1
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BU of 6by1 by Molmil
E. coli pH03H9 complex
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Amiri, H, Noller, H.F.
Deposit date:2017-12-19
Release date:2019-02-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:Structural evidence for product stabilization by the ribosomal mRNA helicase.
Rna, 25, 2019
6SLO
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BU of 6slo by Molmil
Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine
Descriptor: 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol, MAGNESIUM ION, Thioredoxin,Poly(U)-binding-splicing factor PUF60
Authors:Jagtap, P.K.A, Kubelka, T, Bach, T, Sattler, M.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly.
Nat Commun, 11, 2020
6F6Z
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BU of 6f6z by Molmil
Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate
Descriptor: (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Rode, W.
Deposit date:2017-12-06
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies
Int J Mol Sci, 22, 2021

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