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6UJ4
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BU of 6uj4 by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6U8O
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BU of 6u8o by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-05
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UHY
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BU of 6uhy by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.W.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UCQ
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BU of 6ucq by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome recycling complex
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhou, D, Tanzawa, T, Gagnon, M.G, Lin, J.
Deposit date:2019-09-17
Release date:2019-12-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for ribosome recycling by RRF and tRNA.
Nat.Struct.Mol.Biol., 27, 2020
6UHZ
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BU of 6uhz by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.w.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UO1
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BU of 6uo1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA (containing pseudouridine at the first position of the codon) and deacylated A-, P-, and E-site tRNAs at 2.95A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Batool, Z, Dobosz-Bartoszek, M, Polikanov, Y.S.
Deposit date:2019-10-14
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Pseudouridinylation of mRNA coding sequences alters translation.
Proc.Natl.Acad.Sci.USA, 116, 2019
4RDU
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BU of 4rdu by Molmil
Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
Descriptor: (DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG), Homeobox protein DLX-5
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-19
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
To be published
6LSS
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BU of 6lss by Molmil
Cryo-EM structure of a pre-60S ribosomal subunit - state preA
Descriptor: 28S rRNA, 5S rRNA, 60S ribosomal protein L11, ...
Authors:Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N.
Deposit date:2020-01-20
Release date:2020-08-26
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
5NBC
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BU of 5nbc by Molmil
Structure of Prokaryotic Transcription Factors
Descriptor: Ferric uptake regulation protein, MANGANESE (II) ION, ZINC ION
Authors:Perard, J, Carpentier, P, Michaud-Soret, I, Cavazza, C.
Deposit date:2017-03-01
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural and functional studies of the metalloregulator Fur identify a promoter-binding mechanism and its role inFrancisella tularensisvirulence.
Commun Biol, 1, 2018
3TPD
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BU of 3tpd by Molmil
Structure of pHipA, monoclinic form
Descriptor: CHLORIDE ION, PHOSPHATE ION, Serine/threonine-protein kinase HipA
Authors:schumacher, M.A, link, T, Brennan, R.G.
Deposit date:2011-09-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
3TPT
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BU of 3tpt by Molmil
Structure of HipA(D309Q) bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:schumacher, M.A, link, T, Brennan, R.G.
Deposit date:2011-09-08
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Cell Rep, 2, 2012
6KPD
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BU of 6kpd by Molmil
The crystal structure of the BALDIBIS/IDD9 bound to the homodimeric SCL3
Descriptor: Peptide from Zinc finger protein BALDIBIS, Scarecrow-like protein 3
Authors:Hirano, Y, Shimizu, R, Hakoshima, T.
Deposit date:2019-08-15
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the SCL3 homodimer bound to the BIRD/IDD transcription factor
To Be Published
6KZI
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BU of 6kzi by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives
Descriptor: 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N.
Deposit date:2019-09-24
Release date:2020-03-04
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L15
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BU of 6l15 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L12
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BU of 6l12 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6KPB
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BU of 6kpb by Molmil
The crystal structure of the JACKDAW/IDD10 bound to the homodimeric SCL3
Descriptor: DI(HYDROXYETHYL)ETHER, Peptide from Zinc finger protein JACKDAW, Scarecrow-like protein 3
Authors:Hirano, Y, Hakoshima, T.
Deposit date:2019-08-15
Release date:2020-09-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the SCL3 homodimer bound to the BIRD/IDD transcription factor
To Be Published
6L16
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BU of 6l16 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-09-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L11
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BU of 6l11 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
5YC9
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BU of 5yc9 by Molmil
Crystal structure of a Pseudomonas aeruginosa transcriptional regulator
Descriptor: C-di-GMP-binding multidrug transporter transcriptional regulator BrlR
Authors:Harikiran, R, Rohan, S.
Deposit date:2017-09-07
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a Pseudomonas aeruginosa transcriptional regulator
To Be Published
3KTB
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BU of 3ktb by Molmil
Crystal Structure of Arsenical Resistance Operon Trans-acting Repressor from Bacteroides vulgatus ATCC 8482
Descriptor: ACETIC ACID, Arsenical resistance operon trans-acting repressor, CALCIUM ION, ...
Authors:Kim, Y, Tesar, C, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-11-24
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Arsenical Resistance Operon Trans-acting Repressor from Bacteroides vulgatus ATCC 8482
To be Published
3KIK
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BU of 3kik by Molmil
Sgf11:Sus1 complex
Descriptor: Protein SUS1, SAGA-associated factor 11
Authors:Stewart, M, Ellisdon, A.M.
Deposit date:2009-11-02
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1
J.Biol.Chem., 285, 2010
3KNA
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BU of 3kna by Molmil
M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA
Descriptor: 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ...
Authors:Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
Deposit date:2009-11-12
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010

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数据于2024-10-09公开中

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