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2XGF
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BU of 2xgf by Molmil
Structure of the bacteriophage T4 long tail fibre needle-shaped receptor-binding tip
Descriptor: CARBONATE ION, FE (II) ION, LONG TAIL FIBER PROTEIN P37
Authors:Bartual, S.G, Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Kahn, R, Fox, G.C, van Raaij, M.J.
Deposit date:2010-06-03
Release date:2010-11-03
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the bacteriophage T4 long tail fiber receptor-binding tip.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
5FDX
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BU of 5fdx by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Descriptor: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
4CGK
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BU of 4cgk by Molmil
Crystal structure of the essential protein PcsB from Streptococcus pneumoniae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bartual, S.G, Straume, D, Stamsas, G.A, Alfonso, C, Martinez-Ripoll, M, Havarstein, L.S, Hermoso, J.A.
Deposit date:2013-11-25
Release date:2014-05-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis of Pcsb-Mediated Cell Separation in Streptococcus Pneumoniae.
Nat.Commun., 5, 2014
6IBU
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BU of 6ibu by Molmil
Apo Crh5 transglycosylase
Descriptor: GLYCEROL, Probable glycosidase crf1
Authors:Bartual, S.G, Fang, W, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Descriptor: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
4HQS
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BU of 4hqs by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4
Descriptor: GLYCEROL, MAGNESIUM ION, Thioredoxin family protein
Authors:Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-26
Release date:2013-12-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
4HQZ
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BU of 4hqz by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide
Descriptor: 2-HYDROXYETHYL DISULFIDE, DI(HYDROXYETHYL)ETHER, Thioredoxin family protein
Authors:Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-26
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
2YP6
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BU of 2yp6 by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with Cyclofos 3 TM
Descriptor: 3-Cyclohexyl-1-Propylphosphocholine, MALONATE ION, THIOREDOXIN FAMILY PROTEIN
Authors:Bartual, S.G, Shalek, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Molecular Architecture of Streptococcus Pneumoniae Surface Thioredoxin-Fold Lipoproteins Crucial for Extracellular Oxidative Stress Resistance and Maintenance of Virulence.
Embo Mol.Med., 5, 2013
5O2C
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BU of 5o2c by Molmil
Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3
Authors:Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
To Be Published
5NLB
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BU of 5nlb by Molmil
Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box
Descriptor: Cullin-3, Kelch-like ECH-associated protein 1
Authors:Adamson, R, Krojer, T, Pinkas, D.M, Bartual, S.G, Burgess-Brown, N.A, Borkowska, O, Chalk, R, Newman, J.A, Kopec, J, Dixon-Clarke, S.E, Mathea, S, Sethi, R, Velupillai, S, Mackinnon, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2017-04-04
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural and biochemical characterization establishes a detailed understanding of KEAP1-CUL3 complex assembly.
Free Radic Biol Med, 204, 2023
6THJ
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BU of 6thj by Molmil
CBDP35 Native structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PlyP35
Authors:Hermoso, J.A, Bartual, S.G.
Deposit date:2019-11-20
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CBDP35 Native structure
To Be Published
6IBW
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BU of 6ibw by Molmil
Crh5 transglycosylase in complex with NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Probable glycosidase crf1
Authors:Fang, W, Bartual, S.G, van Aalten, D.M.F.
Deposit date:2018-12-01
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
6RHE
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BU of 6rhe by Molmil
CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ...
Authors:Van Aalten, D, Bartual, S.G, Gorelik, A.
Deposit date:2019-04-19
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation.
Nat.Struct.Mol.Biol., 26, 2019
6S4S
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BU of 6s4s by Molmil
CBDP35 Native structure
Descriptor: MALONATE ION, PlyP35
Authors:Hermoso, J.A, Bartual, S.G.
Deposit date:2019-06-28
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:CBDP35 Native structure
To Be Published
6S3Y
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BU of 6s3y by Molmil
CBDP35 SeMet structure
Descriptor: PlyP35
Authors:Hermoso, J.A, Bartual, S.G.
Deposit date:2019-06-26
Release date:2020-07-15
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:CBDP35 SeMet structure
To Be Published
4JZ5
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BU of 4jz5 by Molmil
High-resolution structure of catalytic domain of endolysin ply40 from bacteriophage P40 of Listeria monocytogenes
Descriptor: Gp26
Authors:Romero-Fernandez, P, Bartual, S.G, Carrasco-lopez, C, Hermoso, J.A.
Deposit date:2013-04-02
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of catalytic domain of endolysin Ply40
To be Published
5G3Q
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BU of 5g3q by Molmil
Crystal structure of a hypothetical domain in WNK1
Descriptor: WNK1
Authors:Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-04-29
Release date:2017-05-31
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Crystal Structure of a Hypothetical Domain in Wnk1
To be Published
3ZHG
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BU of 3zhg by Molmil
Crystallographic structure of the native mouse SIGN-R1 CRD domain
Descriptor: CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, SULFATE ION
Authors:Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
Deposit date:2012-12-21
Release date:2014-01-15
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1.
Structure, 22, 2014
4C9F
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BU of 4c9f by Molmil
Structure of SIGN-R1 in complex with Sulfodextran
Descriptor: 4-O-sulfo-alpha-D-glucopyranose, CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, ...
Authors:Silva-Martin, N, Bartual, S.G, Rodriguez, A, Ramirez, E, Chacon, P, Anthony, R.M, Park, C.G, Hermoso, J.A.
Deposit date:2013-10-02
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
4CDH
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BU of 4cdh by Molmil
Crystallographic structure of the Human Igg1 alpha 2-6 sialilated Fc-Fragment
Descriptor: IG GAMMA-1 CHAIN C REGION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
Deposit date:2013-10-31
Release date:2014-11-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
4CAJ
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BU of 4caj by Molmil
Crystallographic structure of the mouse SIGN-R1 CRD domain in complex with sialic acid
Descriptor: CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, CHLORIDE ION, ...
Authors:Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
Deposit date:2013-10-08
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
6JIK
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BU of 6jik by Molmil
Aspergillus fumigatus Rho1 GsGTP
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1
Authors:Bartual, S.G, Van Aalten, D.M.F.
Deposit date:2019-02-22
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aspergillus fumigatus Rho1 gSGTP complex
To Be Published
7PL3
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BU of 7pl3 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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BU of 7pj6 by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ4
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BU of 7pj4 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023

 

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