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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
5L4J
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BU of 5l4j by Molmil
Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS)
Descriptor: 4-(4-hydroxyphenyl)sulfonylphenol, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5L4F
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BU of 5l4f by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC)
Descriptor: 2,6-Dinitro-p-cresol, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
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
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
6CUR
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BU of 6cur by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUP
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BU of 6cup by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9J
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BU of 6v9j by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9M
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BU of 6v9m by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9L
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BU of 6v9l by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9F
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BU of 6v9f by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
7KJ2
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BU of 7kj2 by Molmil
SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ4
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BU of 7kj4 by Molmil
SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
6TC6
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BU of 6tc6 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: Formamidopyrimidine-DNA glycosylase, ZINC ION
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
8HDK
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BU of 8hdk by Molmil
Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
6TC9
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BU of 6tc9 by Molmil
Crystal structure of MutM from Neisseria meningitidis
Descriptor: DNA, DNA containing abasic site analogue, Formamidopyrimidine-DNA glycosylase, ...
Authors:Silhan, J, Landova, B, Boura, E.
Deposit date:2019-11-05
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6C1I
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BU of 6c1i by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J.
Deposit date:2018-01-04
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018

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数据于2024-09-18公开中

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