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6JTZ
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BU of 6jtz by Molmil
Crystal Structure of hRecQ1_D2-Zn-WH containing mutation on beta-hairpin
分子名称: ATP-dependent DNA helicase Q1, ZINC ION
著者Das, T, Mukhopadhyay, S, Bose, M, Das, A.K, Ganguly, A.
登録日2019-04-12
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Residues at the interface between zinc binding and winged helix domains of human RECQ1 play a significant role in DNA strand annealing activity.
Nucleic Acids Res., 2021
5MAW
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BU of 5maw by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis
分子名称: Flagellar protein FliS, Flagellin
著者Altegoer, F, Bange, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
2OIV
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BU of 2oiv by Molmil
Structural Analysis of Xanthomonas XopD Provides Insights Into Substrate Specificity of Ubiquitin-like Protein Proteases
分子名称: PHOSPHATE ION, Xanthomonas outer protein D
著者Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K.
登録日2007-01-11
公開日2007-05-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases.
J.Biol.Chem., 282, 2007
2OIX
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BU of 2oix by Molmil
Xanthomonas XopD C470A Mutant
分子名称: Xanthomonas outer protein D
著者Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K.
登録日2007-01-11
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases.
J.Biol.Chem., 282, 2007
5UAO
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BU of 5uao by Molmil
Crystal structure of MibH, a lathipeptide tryptophan 5-halogenase
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophane-5-halogenase
著者Cogan, D.P, Nair, S.K.
登録日2016-12-19
公開日2017-01-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Two Flavoenzymes Catalyze the Post-Translational Generation of 5-Chlorotryptophan and 2-Aminovinyl-Cysteine during NAI-107 Biosynthesis.
ACS Chem. Biol., 12, 2017
7RK2
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BU of 7rk2 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution
分子名称: Capsid protein VP25, scFv 2D9
著者Meyer, L, Cuellar, C, DuBois, R.M.
登録日2021-07-21
公開日2021-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
7RK1
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BU of 7rk1 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 3E8, an astrovirus-neutralizing antibody, at 2.05-A resolution
分子名称: Capsid polyprotein VP70, scFv 3E8
著者Meyer, L, DuBois, R.M.
登録日2021-07-21
公開日2021-10-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
著者Wibmer, C.K.
登録日2022-02-23
公開日2022-04-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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BU of 7z0x by Molmil
THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
著者Wibmer, C.K.
登録日2022-02-23
公開日2022-04-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
6GOW
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BU of 6gow by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis crystallized in spacegroup P22121
分子名称: Flagellar secretion chaperone FliS, Flagellin
著者Altegoer, F, Bange, G.
登録日2018-06-04
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
7JHG
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BU of 7jhg by Molmil
Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
登録日2020-07-20
公開日2021-07-21
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
7JHH
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BU of 7jhh by Molmil
Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
登録日2020-07-20
公開日2021-07-21
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
1DSK
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BU of 1dsk by Molmil
NMR SOLUTION STRUCTURE OF VPR59_86, 20 STRUCTURES
分子名称: VPR PROTEIN
著者Yao, S, Torres, A.M, Azad, A.A, Macreadie, I.G, Norton, R.S.
登録日1997-10-23
公開日1998-07-01
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Solution structure of peptides from HIV-1 Vpr protein that cause membrane permeabilization and growth arrest.
J. Pept. Sci., 4, 1998
5J8V
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BU of 5j8v by Molmil
Structure of rabbit ryanodine receptor RyR1 open state activated by calcium ion
分子名称: Ryanodine receptor 1
著者Wang, X, Wei, R, Yin, C, Sun, F.
登録日2016-04-08
公開日2016-09-14
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural insights into Ca(2+)-activated long-range allosteric channel gating of RyR1
Cell Res., 26, 2016
2EWG
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BU of 2ewg by Molmil
T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate
分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), MAGNESIUM ION, S-1,2-PROPANEDIOL, ...
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2005-11-03
公開日2006-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
7JIJ
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BU of 7jij by Molmil
ATP-bound AMP-activated protein kinase
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K.
登録日2020-07-23
公開日2021-07-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
6WW2
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BU of 6ww2 by Molmil
Structure of human Frizzled5 by fiducial-assisted cryo-EM
分子名称: Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
著者Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C.
登録日2020-05-07
公開日2020-08-19
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020
7C2V
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BU of 7c2v by Molmil
Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948
分子名称: 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Krishnamurthy, N.R, Robert, B.
登録日2020-05-09
公開日2020-11-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
7C2W
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BU of 7c2w by Molmil
Crystal Structure of IRAK4 kinase in complex with a small molecule inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
著者Krishnamurthy, N.R, Anirudha, L.
登録日2020-05-09
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
3DYH
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BU of 3dyh by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721
分子名称: 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2008-07-27
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3DYF
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BU of 3dyf by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2008-07-27
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3DYG
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T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2008-07-27
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3EGT
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BU of 3egt by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722
分子名称: 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-11
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3EFQ
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BU of 3efq by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714
分子名称: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-09
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
2ZEU
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BU of 2zeu by Molmil
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715
分子名称: 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase
著者Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-12-17
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009

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