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7C2T
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BU of 7c2t by Molmil
Helical reconstruction of Zika virus complexed with Fab C10
分子名称: Heavy chain from Fab C10, Light chain from Fab C10, M protein, ...
著者Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
登録日2020-05-09
公開日2020-07-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
6RJK
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BU of 6rjk by Molmil
Structure of virulence factor SghA from Agrobacterium tumefaciens
分子名称: Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJM
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BU of 6rjm by Molmil
Complex structure of virulence factor SghA and its hydrolysis product glucose
分子名称: Beta-glucosidase, alpha-D-glucopyranose
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
4XHR
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BU of 4xhr by Molmil
Structure of a phospholipid trafficking complex, native
分子名称: Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial
著者Yu, F, He, F, Wang, C, Zhang, P.
登録日2015-01-06
公開日2015-07-01
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex
Embo Rep., 16, 2015
4XIZ
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BU of 4xiz by Molmil
Structure of a phospholipid trafficking complex with substrate
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
著者Yu, F, He, F, Wang, C, Zhang, P.
登録日2015-01-08
公開日2015-07-01
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex
Embo Rep., 16, 2015
6RJO
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BU of 6rjo by Molmil
Complex structure of virulence factor SghA with its substrate analog salicin
分子名称: 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-28
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
分子名称: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6RK2
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BU of 6rk2 by Molmil
Complex structure of virulence factor SghA mutant with its substrate SAG
分子名称: 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IEC
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BU of 6iec by Molmil
Structure of RVFV Gn and human monoclonal antibody R17
分子名称: NSmGnGc, R17 H chain, R17 L chain
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEA
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BU of 6iea by Molmil
Structure of RVFV Gn and human monoclonal antibody R13
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ...
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEK
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BU of 6iek by Molmil
Structure of RVFV Gn and human monoclonal antibody R12
分子名称: Heavy chain of Fab R12, Light chain of Fab R12, NSmGnGc
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-14
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IQD
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BU of 6iqd by Molmil
Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus
分子名称: Alcohol dehydrogenase, ZINC ION
著者Xue, S, Feng, Y, Guo, X, Zhao, Z.
登録日2018-11-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase.
Bioorg.Med.Chem.Lett., 29, 2019
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6Y6C
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BU of 6y6c by Molmil
TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2
著者Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A.
登録日2020-02-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6YMQ
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BU of 6ymq by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ...
著者Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6VZP
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BU of 6vzp by Molmil
HBV wild type capsid
分子名称: Capsid protein
著者Zhao, Z, Wang, J, Zlotnick, A.
登録日2020-02-28
公開日2020-09-30
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
6W0K
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BU of 6w0k by Molmil
HBV D78S mutant capsid
分子名称: Capsid protein
著者Zhao, Z, Wang, J, Zlotnick, A.
登録日2020-03-01
公開日2020-09-30
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
4RKG
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BU of 4rkg by Molmil
Structure of the MSL2 CXC domain bound with a non-specific (GC)6 DNA
分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), E3 ubiquitin-protein ligase msl-2, ZINC ION
著者Zheng, S, Ye, K.
登録日2014-10-13
公開日2015-01-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
4RKH
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BU of 4rkh by Molmil
Structure of the MSL2 CXC domain bound with a specific MRE sequence
分子名称: DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ...
著者Zheng, S, Ye, K.
登録日2014-10-13
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
6YYE
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BU of 6yye by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2
著者Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A.
登録日2020-05-04
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
4S3G
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BU of 4s3g by Molmil
Structure of the F249X mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F.
登録日2015-01-26
公開日2015-07-01
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
4RV3
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BU of 4rv3 by Molmil
Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F.
登録日2014-11-24
公開日2015-07-01
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015

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