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8UT3
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BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT8
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BU of 8ut8 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
6G5Y
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BU of 6g5y by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (acid pH)
Descriptor: DIMETHYL SULFOXIDE, Lysozyme C, NITRATE ION, ...
Authors:Merlino, A, Ferraro, G.
Deposit date:2018-03-30
Release date:2018-06-27
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
8UT4
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BU of 8ut4 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12
Descriptor: 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT5
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BU of 8ut5 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody UCA6_N55T
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
6VVZ
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BU of 6vvz by Molmil
Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin
Descriptor: DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
Deposit date:2020-02-18
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7S3D
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BU of 7s3d by Molmil
Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ...
Authors:Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A.
Deposit date:2021-09-05
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
6VMZ
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BU of 6vmz by Molmil
Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117
Descriptor: 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M.
Deposit date:2020-01-28
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor.
Life Sci Alliance, 3, 2020
6R6K
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BU of 6r6k by Molmil
Structure of a FpvC mutant from pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2019-03-27
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
7S57
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BU of 7s57 by Molmil
Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence of Enterococcus faecalis Sortase A
Descriptor: Class A sortase, sortase A chimera
Authors:Svendsen, J.E, Johnson, D.A, Gao, M, Antos, J.M, Amacher, J.F.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
7S53
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BU of 7s53 by Molmil
Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A
Descriptor: Class A sortase, sortase A chimera
Authors:Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
6VVY
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BU of 6vvy by Molmil
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin
Descriptor: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
Deposit date:2020-02-18
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7OCV
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BU of 7ocv by Molmil
Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
Descriptor: 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ACETATE ION, Poly [ADP-ribose] polymerase, ...
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2021-04-28
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models.
J.Med.Chem., 64, 2021
6I9I
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BU of 6i9i by Molmil
Rift valley fever virus Gn in complex with a neutralizing antibody fragment
Descriptor: Glycoprotein, RV-Gn1 Heavy chain, RV-Gn1 Light chain
Authors:Allen, E.R, Bowden, T.A.
Deposit date:2018-11-23
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Protective Monoclonal Antibody Targets a Site of Vulnerability on the Surface of Rift Valley Fever Virus.
Cell Rep, 25, 2018
5IUX
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BU of 5iux by Molmil
GLIC-V135C bimane labelled X-ray structure
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, ACETATE ION, ...
Authors:Fourati, Z, Menny, A, Delarue, M.
Deposit date:2016-03-18
Release date:2017-03-29
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a pre-active conformation of a pentameric channel receptor.
Elife, 6, 2017
6W9U
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BU of 6w9u by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP
Descriptor: 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-03-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
7RIS
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BU of 7ris by Molmil
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate
Descriptor: Beta-propeller lactonase, CALCIUM ION, PHOSPHATE ION, ...
Authors:Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J.
Deposit date:2021-07-20
Release date:2023-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
6RCW
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BU of 6rcw by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2019-04-11
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
5M0R
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BU of 5m0r by Molmil
Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex
Descriptor: integrase, tDNA, vDNA, ...
Authors:Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P.
Deposit date:2016-10-05
Release date:2017-01-18
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
6G5V
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BU of 6g5v by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (pH 7.0)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Merlino, A, Ferraro, G.
Deposit date:2018-03-30
Release date:2018-07-04
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
6FVR
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BU of 6fvr by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - sTeLIC in complex with Cesium ions (Cs+)
Descriptor: CESIUM ION, Cys-loop ligand-gated ion channel, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-03-05
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8S99
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BU of 8s99 by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
Descriptor: (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
6T3F
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BU of 6t3f by Molmil
Crystal structure Nipah virus fusion glycoprotein in complex with a neutralising Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab66 heavy chain, ...
Authors:Avanzato, V.A, Pryce, R, Walter, T.S, Bowden, T.A.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A structural basis for antibody-mediated neutralization of Nipah virus reveals a site of vulnerability at the fusion glycoprotein apex.
Proc.Natl.Acad.Sci.USA, 116, 2019
8S9A
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BU of 8s9a by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279
Descriptor: (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S98
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Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
Descriptor: (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023

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