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6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-09-30
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.603 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
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
6U5Y
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BU of 6u5y by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 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
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 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
6U5M
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BU of 6u5m by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 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
6U8B
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BU of 6u8b by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.261 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
6U6W
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BU of 6u6w by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-30
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 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
6UGH
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BU of 6ugh by Molmil
Cryo-EM structure of the apo form of human PRMT5:MEP50 complex at a resolution of 3.4 angstrom
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Zhou, W, Yadav, G.P, Jiang, Q.-X, Li, C.
Deposit date:2019-09-26
Release date:2020-12-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A 3.4-angstrom cryo-EM structure of the apo form of hu-man PRMT5:MEP50 complex reveals sequential catalysis of symmetric methyl transfer
To Be Published
6U7C
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BU of 6u7c by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG258747
Descriptor: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bouley, R, Tesmer, J.J.G.
Deposit date:2019-09-02
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of themu-Opioid Receptor.
Mol.Pharmacol., 97, 2020
6U8L
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BU of 6u8l by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid, N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine, 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 (1.57 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
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
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
6V0N
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BU of 6v0n by Molmil
PRMT5 bound to PBM peptide from Riok1
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
Authors:McMIllan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
Descriptor: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
6V8I
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BU of 6v8i by Molmil
Composite atomic model of the Staphylococcus aureus phage 80alpha baseplate
Descriptor: Distal Tail Protein, gp58, FE (III) ION, ...
Authors:Kizziah, J.L, Dokland, T.
Deposit date:2019-12-11
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the host cell recognition and penetration machinery of a Staphylococcus aureus bacteriophage.
Plos Pathog., 16, 2020
6VE7
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BU of 6ve7 by Molmil
The inner junction complex of Chlamydomonas reinhardtii doublet microtubule
Descriptor: Cilia- and flagella-associated protein 20, FAP276, FAP52, ...
Authors:Khalifa, A.A.Z, Ichikawa, M, Bui, K.H.
Deposit date:2019-12-30
Release date:2020-02-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The inner junction complex of the cilia is an interaction hub that involves tubulin post-translational modifications.
Elife, 9, 2020
4C7D
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BU of 4c7d by Molmil
Structure and activity of the GH20 beta-N-acetylhexosaminidase from Streptomyces coelicolor A3(2)
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE
Authors:Nguyenthi, N, Offen, W.A, Davies, G.J, Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
3TGW
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BU of 3tgw by Molmil
Crystal structure of subunit B mutant H156A of the A1AO ATP synthase
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ...
Authors:Tadwal, V.S, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
Deposit date:2011-08-18
Release date:2012-09-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase
To be Published
6AZ1
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BU of 6az1 by Molmil
Cryo-EM structure of the small subunit of Leishmania ribosome bound to paromomycin
Descriptor: E-site tRNA, LACK1, MAGNESIUM ION, ...
Authors:Shalev-Benami, M, Zhang, Y, Rozenberg, H, Matzov, D, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G.
Deposit date:2017-09-09
Release date:2017-12-06
Last modified:2019-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin.
Nat Commun, 8, 2017
6SV4
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BU of 6sv4 by Molmil
The cryo-EM structure of SDD1-stalled collided trisome.
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Tesina, P, Buschauer, R, Cheng, J, Becker, T, Beckmann, R.
Deposit date:2019-09-17
Release date:2020-03-04
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:RQT complex dissociates ribosomes collided on endogenous RQC substrate SDD1.
Nat.Struct.Mol.Biol., 27, 2020
6SNT
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BU of 6snt by Molmil
Yeast 80S ribosome stalled on SDD1 mRNA.
Descriptor: 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S10-A, ...
Authors:Tesina, P, Buschauer, R, Cheng, J, Becker, T, Beckmann, R.
Deposit date:2019-08-27
Release date:2020-03-04
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:RQT complex dissociates ribosomes collided on endogenous RQC substrate SDD1.
Nat.Struct.Mol.Biol., 27, 2020
6SJQ
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BU of 6sjq by Molmil
1.7-A resolution crystal structure of the N-terminal domain of T. brucei BILBO1
Descriptor: Flagellar pocket-related cytoskeletal protein, GLYCEROL
Authors:Vidilaseris, K, Dong, G.
Deposit date:2019-08-13
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Crystal structure of the N-terminal domain of the trypanosome flagellar protein BILBO1 reveals a ubiquitin fold with a long structured loop for protein binding.
J.Biol.Chem., 295, 2020
4AMH
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BU of 4amh by Molmil
Influence of circular permutation on the folding pathway of a PDZ domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DISKS LARGE HOMOLOG 1, GLYCEROL
Authors:Hultqvist, G, Punekar, A.S, Chi, C.N, Selmer, M, Gianni, S, Jemth, P.
Deposit date:2012-03-10
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tolerance of Protein Folding to a Circular Permutation in a Pdz Domain
Plos One, 7, 2012
4AFD
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BU of 4afd by Molmil
Structural and biochemical characterization of a novel Carbohydrate Binding Module of endoglucanase Cel5A from Eubacterium cellulosolvens with a partially bound cellotetraose moeity.
Descriptor: ENDOGLUCANASE CEL5A, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2012-01-18
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Understanding How Noncatalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan.
J.Biol.Chem., 288, 2013

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