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7QT6
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Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
Descriptor: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 2B, ...
Authors:Pandit, J.
Deposit date:2015-11-20
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.98 Å)
Cite: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
Descriptor: 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
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Zhang, P, Liu, Z.
Deposit date:2023-05-16
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
Deposit date:2019-07-29
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2022-06-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (5.55 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, PRD-0038, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-08-29
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
Deposit date:2022-05-16
Release date:2023-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2015-01-16
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.389 Å)
Cite: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
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Zhang, P, Liu, Z.
Deposit date:2023-05-16
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite: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
Descriptor: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
Authors:Hatton, C.E, Cameron, A.D.
Deposit date:2021-12-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, E2 envelope glycoprotein
Authors:Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-06-13
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Langya virus attachment glycoprotein G, ZINC ION
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-08-18
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, E2 envelope glycoprotein, ...
Authors:Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-06-13
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (4.74 Å)
Cite: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
Descriptor: Major allergen Mal d 1
Authors:Ahammer, L, Grutsch, S, Kamenik, A.S, Liedl, K.R, Tollinger, M.
Deposit date:2016-12-12
Release date:2017-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, CHLORIDE ION, ...
Authors:Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
Deposit date:2018-07-01
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.998 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4G5 heavy chain, 4G5 light chain, ...
Authors:Wang, Z, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-08-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ...
Authors:Nozal, V, Liehta, D.
Deposit date:2021-12-14
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 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
Authors:Addetia, A, Veesler, D.
Deposit date:2022-01-25
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published

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