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8FH1
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Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FH0
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Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
8FGY
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BU of 8fgy by Molmil
Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
著者Doamekpor, S.K, Tong, L.
登録日2022-12-13
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations.
Acta Crystallogr.,Sect.F, 79, 2023
4U1T
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BU of 4u1t by Molmil
The crystal structure of holo CalE6, a methionine gamma lyase from Micromonospora echinospora
分子名称: CalE6, SULFATE ION
著者Song, H.G, Guo, Z.H.
登録日2014-07-16
公開日2015-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of a Methionine gamma-Lyase in the Calicheamicin Biosynthetic Cluster of Micromonospora echinospora
Chembiochem, 16, 2015
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-01-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
分子名称: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
著者Meagher, J.L, Stuckey, J.A.
登録日2019-02-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
4N5Y
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BU of 4n5y by Molmil
Crystal structure of H5 hemagglutinin mutant (N158D, N224K and Q226L) from the influenza virus A/Viet Nam/1203/2004 (H5N1)
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, Hemagglutinin HA1 chain, ...
著者Zhu, X, Wilson, I.A.
登録日2013-10-10
公開日2013-11-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.1615 Å)
主引用文献Hemagglutinin Receptor Specificity and Structural Analyses of Respiratory Droplet-Transmissible H5N1 Viruses.
J.Virol., 88, 2014
4N5Z
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Crystal structure of aerosol transmissible influenza H5 hemagglutinin mutant (N158D, N224K, Q226L and T318I) from the influenza virus A/Viet Nam/1203/2004 (H5N1)
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, Hemagglutinin, ...
著者Zhu, X, Wilson, I.A.
登録日2013-10-10
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9537 Å)
主引用文献Hemagglutinin Receptor Specificity and Structural Analyses of Respiratory Droplet-Transmissible H5N1 Viruses.
J.Virol., 88, 2014
7WDF
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BU of 7wdf by Molmil
SARS-CoV-2 Beta spike in complex with two S3H3 Fabs
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD0
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SARS-CoV-2 Beta spike in complex with two S5D2 Fabs
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCR
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BU of 7wcr by Molmil
RBD-1 of SARS-CoV-2 Beta spike in complex with S5D2 Fab
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD9
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BU of 7wd9 by Molmil
SARS-CoV-2 Beta spike in complex with three S3H3 Fabs
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD7
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BU of 7wd7 by Molmil
SARS-CoV-2 Beta spike in complex with three S5D2 Fabs
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCZ
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BU of 7wcz by Molmil
SARS-CoV-2 Beta spike in complex with one S5D2 Fab
分子名称: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-20
公開日2022-02-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD8
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BU of 7wd8 by Molmil
SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Wang, Y.F, Cong, Y.
登録日2021-12-21
公開日2022-02-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
5TBM
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BU of 5tbm by Molmil
Crystal structure of PT2385 bound to HIF2a-B*:ARNT-B* complex
分子名称: 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Du, X.
登録日2016-09-12
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Small-Molecule Antagonist of HIF2 alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma.
Cancer Res., 76, 2016
3DY6
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BU of 3dy6 by Molmil
PPARdelta complexed with an anthranilic acid partial agonist
分子名称: 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid, IODIDE ION, Peroxisome proliferator-activated receptor delta
著者Lambert, M.L, Xu, R, Shearer, B.G, Wilson, T.M.
登録日2008-07-25
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a novel class of PPARdelta partial agonists
Bioorg.Med.Chem.Lett., 18, 2008
7YUA
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BU of 7yua by Molmil
Structural Insight into a Metal-Dependent Mutase MtdL Revealing an Arginine Residue Covalently Mediated Interconversion between Nucleotide-Based furanose and pyranose
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Chi, C.B, Ma, M.
登録日2022-08-16
公開日2023-07-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insight into a Metal-Dependent Mutase Revealing an Arginine Residue-Covalently Mediated Interconversion between Nucleotide-Based Pyranose and Furanose.
Acs Catalysis, 13, 2023
7YV0
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BU of 7yv0 by Molmil
Structural Insight into a Metal-Dependent Mutase MtdL Revealing an Arginine Residue Covalently Mediated Interconversion between Nucleotide-Based furanose and pyranose
分子名称: SULFATE ION, Transglycosylse
著者Chi, C.B, Ma, M.
登録日2022-08-18
公開日2023-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural Insight into a Metal-Dependent Mutase Revealing an Arginine Residue-Covalently Mediated Interconversion between Nucleotide-Based Pyranose and Furanose.
Acs Catalysis, 13, 2023
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2MKZ
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BU of 2mkz by Molmil
solution structure of a protein C-terminal domain
分子名称: Proteasomal ubiquitin receptor ADRM1
著者Feng, Y, Jiao, L.
登録日2014-02-17
公開日2014-12-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism of the Rpn13-induced activation of Uch37
Protein Cell, 5, 2014
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW4
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Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OCB
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Akt1 kinase domain with pyrrolopyrimidine inhibitor
分子名称: (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1)
著者Morales, T.H, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-08-09
公開日2010-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20, 2010

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