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6UYD
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BU of 6uyd by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYF
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BU of 6uyf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.375 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6VIZ
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BU of 6viz by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
分子名称: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
6VIX
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BRD4_Bromodomain2 complex with pyrrolopyridone compound 18
分子名称: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.116 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6UIT
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BU of 6uit by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ...
著者Lansdon, E.B.
登録日2019-10-01
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.80607414 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
6VIY
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BU of 6viy by Molmil
BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VIW
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BU of 6viw by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 18
分子名称: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
8DQA
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BU of 8dqa by Molmil
Structure of A. thaliana MIF/D-DT-like protein-3 (MDL3)
分子名称: LS1-like protein
著者Manjula, R, Basquin, J, Lolis, E.
登録日2022-07-18
公開日2023-07-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
8DQ6
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BU of 8dq6 by Molmil
Structure of A. thaliana MIF/D-DT-like protein-1 (MDL1)
分子名称: CALCIUM ION, MIF/D-DT-like protein-1
著者Manjula, R, Basquin, J, Lolis, E.
登録日2022-07-18
公開日2023-07-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8IFF
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BU of 8iff by Molmil
Cryo-EM structure of Arabidopsis phytochrome A.
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
著者Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P.
登録日2023-02-17
公開日2023-08-02
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Plant phytochrome A in the Pr state assembles as an asymmetric dimer.
Cell Res., 33, 2023
3U3Q
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BU of 3u3q by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
分子名称: Tumor necrosis factor receptor superfamily member 21
著者Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
登録日2011-10-06
公開日2012-05-02
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
3U3S
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BU of 3u3s by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
分子名称: Tumor necrosis factor receptor superfamily member 21
著者Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
登録日2011-10-06
公開日2012-05-02
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
1QP9
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BU of 1qp9 by Molmil
STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7
分子名称: CYP1(HAP1-PC7) ACTIVATORY PROTEIN, DNA (5'-D(*AP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*T)-3'), ...
著者Lukens, A, King, D, Marmorstein, R.
登録日1999-06-01
公開日2000-10-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of HAP1-PC7 bound to DNA: implications for DNA recognition and allosteric effects of DNA-binding on transcriptional activation.
Nucleic Acids Res., 28, 2000
3U3P
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BU of 3u3p by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
分子名称: Tumor necrosis factor receptor superfamily member 21
著者Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
登録日2011-10-06
公開日2012-05-02
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
6ILF
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BU of 6ilf by Molmil
CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.7 ANGSTROM
分子名称: Beta-2-microglobulin, HEV-2, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-17
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
5QIM
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BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7CKF
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The N-terminus of interferon-inducible antiviral protein-dimer
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
著者Cui, W, Yang, H.T.
登録日2020-07-16
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
5QIL
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018

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