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7QT6
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Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
分子名称: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT5
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BU of 7qt5 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168
分子名称: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
5EWL
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BU of 5ewl by Molmil
CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH MK-22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 2B, ...
著者Pandit, J.
登録日2015-11-20
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists.
Mol.Pharmacol., 89, 2016
7QT7
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BU of 7qt7 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
8CTS
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BU of 8cts by Molmil
Room temperature crystal structure of a K+ selective NaK mutant (NaK2K)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8JEM
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BU of 8jem by Molmil
DltB tetramer in complex with inhibitor m-AMSA
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
著者Zhang, P, Liu, Z.
登録日2023-05-16
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
6PY9
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BU of 6py9 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
著者Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2019-07-29
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.55 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8U0T
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BU of 8u0t by Molmil
PRD-0038 RBD bound to Rhinolophus alcyone ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, PRD-0038, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-08-29
公開日2023-12-06
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Broad receptor tropism and immunogenicity of a clade 3 sarbecovirus.
Cell Host Microbe, 31, 2023
8CU1
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BU of 8cu1 by Molmil
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8CU3
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BU of 8cu3 by Molmil
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8CU4
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BU of 8cu4 by Molmil
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 1us, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8CU2
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BU of 8cu2 by Molmil
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
4XNZ
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BU of 4xnz by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC06B in complex with HIV-1 clade A/E strain 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-01-16
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.389 Å)
主引用文献Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell, 161, 2015
8JES
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BU of 8jes by Molmil
Cryo-EM structure of DltB homo-tetramer
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
著者Zhang, P, Liu, Z.
登録日2023-05-16
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
7QOA
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BU of 7qoa by Molmil
Structure of CodB, a cytosine transporter in an outward-facing conformation
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
著者Hatton, C.E, Cameron, A.D.
登録日2021-12-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
6YOU
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BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-04-15
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
8DAQ
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BU of 8daq by Molmil
CryoEM structure of Western equine encephalitis virus VLP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, E2 envelope glycoprotein
著者Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-06-13
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (4.35 Å)
主引用文献Alternate repeat domain usage in an alphavirus entry receptor enables host species expansion
To Be Published
8TVI
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BU of 8tvi by Molmil
Langya Virus G glycoprotein (LayV G) with stabilizing mutations
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Langya virus attachment glycoprotein G, ZINC ION
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-08-18
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure and design of Langya virus glycoprotein antigens.
Proc.Natl.Acad.Sci.USA, 121, 2024
8DAN
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BU of 8dan by Molmil
CryoEM structure of Western equine encephalitis virus VLP in complex with the avian MXRA8 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, E2 envelope glycoprotein, ...
著者Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-06-13
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (4.74 Å)
主引用文献Alternate domain repeat usage in an alphavirus entry receptor enables host species expansion
To Be Published
5MMU
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BU of 5mmu by Molmil
NMR solution structure of the major apple allergen Mal d 1
分子名称: Major allergen Mal d 1
著者Ahammer, L, Grutsch, S, Kamenik, A.S, Liedl, K.R, Tollinger, M.
登録日2016-12-12
公開日2017-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Major Apple Allergen Mal d 1.
J. Agric. Food Chem., 65, 2017
6DY1
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BU of 6dy1 by Molmil
Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) with fatty acid (myristate), in presence of Triton X-100
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, CHLORIDE ION, ...
著者Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
登録日2018-07-01
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8TVH
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BU of 8tvh by Molmil
Langya henipavirus postfusion F protein in complex with 4G5 Fab, local refinement of the viral membrane proximal region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4G5 heavy chain, 4G5 light chain, ...
著者Wang, Z, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-08-18
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and design of Langya virus glycoprotein antigens.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QHW
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BU of 7qhw by Molmil
TTBK1 kinase domain in complex with inhibitor 29
分子名称: GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ...
著者Nozal, V, Liehta, D.
登録日2021-12-14
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
7TPI
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BU of 7tpi by Molmil
SARS-CoV-2 E406W mutant Spike ectodomain
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, Spike glycoprotein
著者Addetia, A, Veesler, D.
登録日2022-01-25
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published

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件を2024-09-25に公開中

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