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8AH0
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BU of 8ah0 by Molmil
BK Polyomavirus VP1 mutant VQQ
Descriptor: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
Authors:Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
Deposit date:2022-07-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AGH
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BU of 8agh by Molmil
BK Polyomavirus VP1 mutant E73A
Descriptor: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
Authors:Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
Deposit date:2022-07-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AGO
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BU of 8ago by Molmil
BK Polyomavirus VP1 mutant E73Q
Descriptor: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
Authors:Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
Deposit date:2022-07-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AH1
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BU of 8ah1 by Molmil
BK Polyomavirus VP1 mutant N-Q
Descriptor: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
Authors:Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
Deposit date:2022-07-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
4A5V
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BU of 4a5v by Molmil
Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4
Descriptor: MICRONEMAL PROTEIN 4
Authors:Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2011-10-28
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii.
J.Biol.Chem., 287, 2012
4D0Q
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BU of 4d0q by Molmil
Hyaluronan Binding Module of the Streptococcal Pneumoniae Hyaluronate Lyase
Descriptor: 1,2-ETHANEDIOL, HYALURONATE LYASE
Authors:Suits, M.D.L, Pluvinage, B, Law, A, Liu, Y, Palma, A.S, Chai, W, Feizi, T, Boraston, A.B.
Deposit date:2014-04-29
Release date:2014-08-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational Analysis of the Streptococcus Pneumoniae Hyaluronate Lyase and Characterization of its Hyaluronan-Specific Carbohydrate-Binding Module.
J.Biol.Chem., 289, 2014
6G47
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BU of 6g47 by Molmil
Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Liaci, A.M, Stehle, T.
Deposit date:2018-03-26
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Polysialic acid is a cellular receptor for human adenovirus 52.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7O8C
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BU of 7o8c by Molmil
Structure of SGBP BO2743 from Bacteroides ovatus
Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, BETA-MERCAPTOETHANOL, ...
Authors:Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L.
Deposit date:2021-04-15
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
6R31
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BU of 6r31 by Molmil
Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide
Descriptor: CALCIUM ION, Endoglucanase H, PHOSPHATE ION, ...
Authors:Ribeiro, D.O, Carvalho, A.L.
Deposit date:2019-03-19
Release date:2020-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum.
Febs J., 287, 2020
6R3M
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BU of 6r3m by Molmil
Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide
Descriptor: ACETATE ION, CALCIUM ION, Endoglucanase H, ...
Authors:Ribeiro, D.O, Carvalho, A.L.
Deposit date:2019-03-20
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum.
Febs J., 287, 2020
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
7T7G
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BU of 7t7g by Molmil
Imipenem-OXA-23 2 minute complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7D
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BU of 7t7d by Molmil
MA-1-206-OXA-23 30s complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7F
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BU of 7t7f by Molmil
MA-1-206-OXA-23 25 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7E
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BU of 7t7e by Molmil
MA-1-206-OXA-23 3 minute complex
Descriptor: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
Authors:Smith, C.A, Stewart, N.K, Vakulenko, S.B.
Deposit date:2021-12-15
Release date:2022-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7NOX
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BU of 7nox by Molmil
Structure of SGBP BO2743 from Bacteroides ovatus in complex with mixed-linked gluco-nonasaccharide
Descriptor: AZIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L.
Deposit date:2021-02-26
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
4R3B
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BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
Descriptor: (2S)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2014-08-14
Release date:2015-01-21
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
2JHD
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BU of 2jhd by Molmil
Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 3'-sialyl-N-acetyllactosamine
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2007-02-21
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
2JH7
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BU of 2jh7 by Molmil
Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 6'-sialyl-N-acetyllactosamine
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2007-02-20
Release date:2007-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
2JH1
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BU of 2jh1 by Molmil
Crystal structure of Toxoplasma gondii micronemal protein 1
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2007-02-19
Release date:2007-05-22
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
2LL4
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BU of 2ll4 by Molmil
HADDOCK structure of TgMIC4-A5/lacto-N-biose complex, based on NOE-derived distance restraints
Descriptor: Micronemal protein 4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Cowper, B, Matthews, S.
Deposit date:2011-10-26
Release date:2012-04-04
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma gondii.
J.Biol.Chem., 287, 2012
2LL3
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BU of 2ll3 by Molmil
The solution structure of TgMIC4 apple-5 domain
Descriptor: Micronemal protein 4
Authors:Cowper, B, Matthews, S.
Deposit date:2011-10-26
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma gondii.
J.Biol.Chem., 287, 2012
2LBO
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BU of 2lbo by Molmil
Eimeria tenella microneme protein 3 MAR_B domain
Descriptor: Microneme protein 3
Authors:Lai, L, Garnett, J, Simpson, P, Matthews, S.
Deposit date:2011-04-05
Release date:2011-11-16
Method:SOLUTION NMR
Cite:The Role of Sialyl Glycan Recognition in Host Tissue Tropism of the Avian Parasite Eimeria tenella
Plos Pathog., 7, 2011
4JPM
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BU of 4jpm by Molmil
Structure of SHV-1 beta-lactamase in complex with the 7-alkylidenecephalosporin DCM-1-10 at 1.14 Ang resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-alkylidenecephalosporin DCM-1-10, bound form, ...
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2013-03-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:beta-Lactamase Inhibition by 7-Alkylidenecephalosporin Sulfones: Allylic Transposition and Formation of an Unprecedented Stabilized Acyl-Enzyme.
J.Am.Chem.Soc., 135, 2013
5YMT
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BU of 5ymt by Molmil
Functional and structural characterization of P[19] rotavirus VP8* interaction with histo-blood group antigens
Descriptor: Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Sun, X, Duan, Z.
Deposit date:2017-10-22
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Glycan Binding Specificity and Mechanism of Human and Porcine P[6]/P[19] Rotavirus VP8*s.
J. Virol., 92, 2018

 

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