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6T9R
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BU of 6t9r by Molmil
Aplysia californica AChBP in complex with a cytisine derivative
Descriptor: (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ...
Authors:Davis, S, Hunter, W.N.
Deposit date:2019-10-28
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica.
Acta Crystallogr.,Sect.F, 76, 2020
6QKK
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BU of 6qkk by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ...
Authors:Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N.
Deposit date:2019-01-29
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
6ZDC
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BU of 6zdc by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with nickel
Descriptor: Glycoprotein endo-alpha-1,2-mannosidase, NICKEL (II) ION
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZFQ
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BU of 6zfq by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with bis-tris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoprotein endo-alpha-1,2-mannosidase
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZDK
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BU of 6zdk by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES and hexatungstotellurate(VI) TEW
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZDF
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BU of 6zdf by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoprotein endo-alpha-1,2-mannosidase
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZJ6
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BU of 6zj6 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with cyclohexylmethyl-Glc-1,3-isofagomine
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ACETATE ION, ...
Authors:Thompson, A.J, Sobala, L.F, Fernandes, P.Z, Hakki, Z, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZDL
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BU of 6zdl by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG and hexatungstotellurate(VI) TEW
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZJ1
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BU of 6zj1 by Molmil
Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW
Descriptor: 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, MAGNESIUM ION, ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZJ5
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BU of 6zj5 by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcDMJ and hexatungstotellurate(VI) TEW
Descriptor: 1-DEOXYMANNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-tungstotellurate(VI), ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-27
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZFA
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BU of 6zfa by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG, alpha-1,2-mannobiose and hexatungstotellurate(VI) TEW
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-16
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZFN
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BU of 6zfn by Molmil
Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with 1-methyl alpha-1,2-mannobiose
Descriptor: Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
1R19
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BU of 1r19 by Molmil
Crystal Structure Analysis of S.epidermidis adhesin SdrG binding to Fibrinogen (Apo structure)
Descriptor: fibrinogen-binding protein SdrG
Authors:Ponnuraj, K, Bowden, M.G, Davis, S, Gurusiddappa, S, Moore, D, Choe, D, Xu, Y, Hook, M, Narayana, S.V.L.
Deposit date:2003-09-23
Release date:2003-10-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:A "dock, lock and latch" Structural Model for a Staphylococcal Adhesin Binding to Fibrinogen
Cell(Cambridge,Mass.), 115, 2003
1R17
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BU of 1r17 by Molmil
Crystal Structure Analysis of S.epidermidis adhesin SdrG binding to Fibrinogen (adhesin-ligand complex)
Descriptor: CALCIUM ION, fibrinogen-binding protein SdrG, fibrinopeptide B
Authors:Ponnuraj, K, Bowden, M.G, Davis, S, Gurusiddappa, S, Moore, D, Choe, D, Xu, Y, Hook, M, Narayana, S.V.L.
Deposit date:2003-09-23
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A "dock, lock and latch" Structural Model for a Staphylococcal Adhesin Binding to Fibrinogen
Cell(Cambridge,Mass.), 115, 2003
6QQP
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BU of 6qqp by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
Deposit date:2019-02-18
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
6QQO
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BU of 6qqo by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ...
Authors:Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
Deposit date:2019-02-18
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
4ASZ
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BU of 4asz by Molmil
Crystal structure of apo TrkB kinase domain
Descriptor: BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT4
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BU of 4at4 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
Descriptor: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT5
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BU of 4at5 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580
Descriptor: 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AT3
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BU of 4at3 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N
Descriptor: (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR
Authors:Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
Deposit date:2012-05-03
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
1BL0
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BU of 1bl0 by Molmil
MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN (MARA)/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*CP*GP*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP* CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP* TP*C)-3'), PROTEIN (MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN)
Authors:Davies, S, Rhee, R.G, Martin, J.L, Rosner, D.R.
Deposit date:1998-07-22
Release date:1998-09-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator.
Proc.Natl.Acad.Sci.USA, 95, 1998
2MCP
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BU of 2mcp by Molmil
REFINED CRYSTAL STRUCTURE OF THE MC/PC603 FAB-PHOSPHOCHOLINE COMPLEX AT 3.1 ANGSTROMS RESOLUTION
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), PHOSPHOCHOLINE
Authors:Padlan, E.A, Cohen, G.H, Davies, D.R.
Deposit date:1984-10-15
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Refined Crystal Structure of the Mc/Pc603 Fab-Phosphocholine Complex at 3.1 Angstroms Resolution
To be Published
5NFO
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BU of 5nfo by Molmil
Human JMJD7 in complex with Mn and 2OG in the P21212 form
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
5NFN
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BU of 5nfn by Molmil
JMJD7 IN COMPLEX WITH MN AND 2OG IN THE H32 FORM
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
Authors:Chowdhury, R, Markolovic, S, Schofield, C.J.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
8C5N
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BU of 8c5n by Molmil
Sub-atomic resolution structure of the chitin-binding protein D (CbpD) from Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, Chitin-binding protein CbpD
Authors:Cordara, G, Krengel, U, Golten, O, Vaaje-Kolstad, G, Vinther Soerensen, H.
Deposit date:2023-01-09
Release date:2023-06-28
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:Immunization with lytic polysaccharide monooxygenase CbpD induces protective immunity against Pseudomonas aeruginosa pneumonia.
Proc.Natl.Acad.Sci.USA, 120, 2023

 

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