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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
分子名称: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-08-30
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
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
分子名称: 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
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
分子名称: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
4YMA
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BU of 4yma by Molmil
Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109
分子名称: (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
登録日2015-03-06
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
4YMB
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BU of 4ymb by Molmil
Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111
分子名称: (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
登録日2015-03-06
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
7XC2
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BU of 7xc2 by Molmil
Cryo EM structure of oligomeric complex formed by wheat CNL Sr35 and the effector AvrSr35 of the wheat stem rust pathogen
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Avirulence factor, CNL9
著者Alexander, F, Li, E.T, Aaron, L, Deng, Y.N, Sun, Y, Chai, J.J.
登録日2022-03-22
公開日2022-09-21
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A wheat resistosome defines common principles of immune receptor channels.
Nature, 610, 2022
3T9T
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BU of 3t9t by Molmil
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
分子名称: (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.
登録日2011-08-03
公開日2011-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
分子名称: COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
分子名称: Histone acetyltransferase KAT6A, ZINC ION
著者Qiu, Y.
登録日2011-12-15
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
8EFP
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BU of 8efp by Molmil
CryoEM structure of GSDMB in complex with shigella IpaH7.8
分子名称: Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
著者Wang, C, Ruan, J.
登録日2022-09-08
公開日2023-03-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for GSDMB pore formation and its targeting by IpaH7.8.
Nature, 616, 2023
3RGZ
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BU of 3rgz by Molmil
Structural insight into brassinosteroid perception by BRI1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chai, J, Han, Z, She, J, Wang, J, Cheng, W.
登録日2011-04-11
公開日2011-06-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Structural insight into brassinosteroid perception by BRI1.
Nature, 474, 2011
7DQ7
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BU of 7dq7 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5
分子名称: 5F5 VH, 5F5 VL, Capsid protein VP4, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPF
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BU of 7dpf by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion
分子名称: Capsid protein VP4, PALMITIC ACID, VP2, ...
著者Zheng, Q, Li, S.
登録日2020-12-18
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DQ4
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BU of 7dq4 by Molmil
Cryo-EM structure of CAR triggered Coxsackievirus B1 A-particle
分子名称: VP2, VP3, Virion protein 1
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPZ
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BU of 7dpz by Molmil
Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR
分子名称: Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DQ1
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BU of 7dq1 by Molmil
Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature
分子名称: Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ...
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
登録日2020-12-22
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
7DPG
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BU of 7dpg by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle
分子名称: VP2, VP3, Virion protein 1
著者Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N.
登録日2020-12-18
公開日2021-05-05
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
8CT6
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BU of 8ct6 by Molmil
1F8 mAb in complex with the computationally optimized broadly reactive H1 influenza hemagglutinin P1
分子名称: 1F8 heavy chain, 1F8 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dzimianski, J.V, DuBois, R.M.
登録日2022-05-13
公開日2023-04-19
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the broad protection against H1 influenza viruses by a computationally optimized hemagglutinin vaccine.
Commun Biol, 6, 2023
3RGX
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BU of 3rgx by Molmil
Structural insight into brassinosteroid perception by BRI1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chai, J, Han, Z, She, J, Wang, J, Cheng, W, Wang, J.
登録日2011-04-11
公開日2011-06-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural insight into brassinosteroid perception by BRI1.
Nature, 474, 2011
6CFD
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BU of 6cfd by Molmil
ADEP4 bound to E. faecium ClpP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
著者Lee, R.E, Griffith, E.C.
登録日2018-02-14
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-08
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
8DOC
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BU of 8doc by Molmil
Crystal structure of RPE65 in complex with compound 16e and palmitate
分子名称: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FE (II) ION, ...
著者Bassetto, M, Kiser, P.D.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tuning the Metabolic Stability of Visual Cycle Modulators through Modification of an RPE65 Recognition Motif.
J.Med.Chem., 66, 2023

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