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5MAW
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BU of 5maw by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis
Descriptor: Flagellar protein FliS, Flagellin
Authors:Altegoer, F, Bange, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
2OIX
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BU of 2oix by Molmil
Xanthomonas XopD C470A Mutant
Descriptor: Xanthomonas outer protein D
Authors:Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K.
Deposit date:2007-01-11
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases.
J.Biol.Chem., 282, 2007
1DSK
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BU of 1dsk by Molmil
NMR SOLUTION STRUCTURE OF VPR59_86, 20 STRUCTURES
Descriptor: VPR PROTEIN
Authors:Yao, S, Torres, A.M, Azad, A.A, Macreadie, I.G, Norton, R.S.
Deposit date:1997-10-23
Release date:1998-07-01
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Solution structure of peptides from HIV-1 Vpr protein that cause membrane permeabilization and growth arrest.
J. Pept. Sci., 4, 1998
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
Descriptor: PHOSPHATE ION, Xanthomonas outer protein D
Authors:Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K.
Deposit date:2007-01-11
Release date:2007-05-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases.
J.Biol.Chem., 282, 2007
6GOW
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BU of 6gow by Molmil
Crystal structure of the flagellin-FliS complex from Bacillus subtilis crystallized in spacegroup P22121
Descriptor: Flagellar secretion chaperone FliS, Flagellin
Authors:Altegoer, F, Bange, G.
Deposit date:2018-06-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:FliS/flagellin/FliW heterotrimer couples type III secretion and flagellin homeostasis.
Sci Rep, 8, 2018
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 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, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: 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, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
6JTZ
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BU of 6jtz by Molmil
Crystal Structure of hRecQ1_D2-Zn-WH containing mutation on beta-hairpin
Descriptor: ATP-dependent DNA helicase Q1, ZINC ION
Authors:Das, T, Mukhopadhyay, S, Bose, M, Das, A.K, Ganguly, A.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.797 Å)
Cite: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
2ZEV
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BU of 2zev by Molmil
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715
Descriptor: 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ...
Authors:Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
5J8V
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BU of 5j8v by Molmil
Structure of rabbit ryanodine receptor RyR1 open state activated by calcium ion
Descriptor: Ryanodine receptor 1
Authors:Wang, X, Wei, R, Yin, C, Sun, F.
Deposit date:2016-04-08
Release date:2016-09-14
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural insights into Ca(2+)-activated long-range allosteric channel gating of RyR1
Cell Res., 26, 2016
2ZEU
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BU of 2zeu by Molmil
S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715
Descriptor: 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase
Authors:Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
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
Descriptor: 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, ...
Authors:Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
Deposit date:2020-07-20
Release date:2021-07-21
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite: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
Descriptor: 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, ...
Authors:Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
Deposit date:2020-07-20
Release date:2021-07-21
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
7C2V
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BU of 7c2v by Molmil
Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948
Descriptor: 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
Authors:Krishnamurthy, N.R, Robert, B.
Deposit date:2020-05-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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
Descriptor: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
Authors:Krishnamurthy, N.R, Anirudha, L.
Deposit date:2020-05-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
2OPM
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BU of 2opm by Molmil
Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461
Descriptor: 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, ...
Authors:Cao, R, Gao, Y.G, Robinson, H, Goddard, A.
Deposit date:2007-01-29
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
4RVC
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BU of 4rvc by Molmil
Structure of ATP binding subunit of ABC transporter
Descriptor: ABC transporter ATP-binding protein
Authors:Manjula, M, Pampa, K.J, Lokanath, N.K.
Deposit date:2014-11-26
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of ATP-binding subunit of an ABC transporter from Geobacillus kaustophilus.
Biochem.Biophys.Res.Commun., 459, 2015
8GTS
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BU of 8gts by Molmil
CryoEM structure of human Pannexin1 with R217H congenital mutation.
Descriptor: Pannexin-1
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
7JIJ
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BU of 7jij by Molmil
ATP-bound AMP-activated protein kinase
Descriptor: 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, ...
Authors:Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K.
Deposit date:2020-07-23
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (5.5 Å)
Cite: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
Descriptor: Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C.
Deposit date:2020-05-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020
8GTR
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BU of 8gtr by Molmil
CryoEM structure of human Pannexin isoform 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATIDYLETHANOLAMINE, Pannexin-3
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
8GTT
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BU of 8gtt by Molmil
Cryo-EM structure of human Pannexin1 resembling Pannexin2 pore with W74R/R75Dmutations
Descriptor: Pannexin-1
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
5OYH
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BU of 5oyh by Molmil
crystal structure of the catalytic core of a rhodopsin-guanylyl cyclase with converted specificity in complex with ATPalphaS
Descriptor: ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Broser, M, Scheib, U, Hegemann, P.
Deposit date:2017-09-09
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain.
Nat Commun, 9, 2018
4L5F
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BU of 4l5f by Molmil
Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
Descriptor: Envelope protein, Heavy chain of E106 antibody (VH and CH1 of IgG2c), Light chain of E106 antibody (kappa)
Authors:Edeling, M.A, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-06-11
Release date:2013-12-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
To be Published
2OPN
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BU of 2opn by Molmil
Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
Descriptor: Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E.
Deposit date:2007-01-29
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bisphosphonates: Teaching Old Drugs with New Tricks
To be Published

221716

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