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PDB: 26 results

4YMA
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BU of 4yma by Molmil
Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109
Descriptor: (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
4Z0Z
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BU of 4z0z by Molmil
Inactive aurone synthase (polyphenol oxidase) from natural source, sulfohistidine ~ 90 %
Descriptor: Aurone synthase, COPPER (II) ION
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Z11
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BU of 4z11 by Molmil
Latent aurone synthase (polyphenol oxidase) from natural source
Descriptor: Aurone synthase, COPPER (II) ION
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Z12
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BU of 4z12 by Molmil
Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI)
Descriptor: 6-tungstotellurate(VI), Aurone synthase, COPPER (II) ION, ...
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Z13
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BU of 4z13 by Molmil
Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI) and soaked in H2O2
Descriptor: 6-tungstotellurate(VI), Aurone synthase, COPPER (II) ION, ...
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Z14
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BU of 4z14 by Molmil
Recombinantly expressed latent aurone synthase (polyphenol oxidase)
Descriptor: Aurone synthase, COPPER (II) ION
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Recombinantly expressed latent aurone synthase (polyphenol oxidase)
To Be Published
4Z0Y
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BU of 4z0y by Molmil
Active aurone synthase (polyphenol oxidase), copper B : sulfohistidine ~ 1.4 : 1
Descriptor: Aurone synthase, COPPER (II) ION, GLYCEROL
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Z10
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BU of 4z10 by Molmil
Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
Descriptor: ACETATE ION, Aurone synthase, COPPER (II) ION, ...
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
To Be Published
4YMB
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BU of 4ymb by Molmil
Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111
Descriptor: (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
6EFE
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BU of 6efe by Molmil
NMR Solution Structure of vil14a
Descriptor: Kappa-conotoxin vil14a
Authors:Dovell, S, Mari, F, Moller, C, Melaun, C.
Deposit date:2018-08-16
Release date:2018-09-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Definition of the R-superfamily of conotoxins: Structural convergence of helix-loop-helix peptidic scaffolds.
Peptides, 107, 2018
6EOA
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BU of 6eoa by Molmil
Crystal Structure of HAL3 from Cryptococcus neoformans
Descriptor: FLAVIN MONONUCLEOTIDE, Phosphopantothenoylcysteine decarboxylase
Authors:Reverter, D, Zhang, C, Molero, C, Arino, J.
Deposit date:2017-10-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Characterization of the atypical Ppz/Hal3 phosphatase system from the pathogenic fungus Cryptococcus neoformans.
Mol.Microbiol., 111, 2019
1VKG
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BU of 1vkg by Molmil
Crystal Structure of Human HDAC8 complexed with CRA-19156
Descriptor: 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-13
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T69
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BU of 1t69 by Molmil
Crystal Structure of human HDAC8 complexed with SAHA
Descriptor: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T67
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BU of 1t67 by Molmil
Crystal Structure of Human HDAC8 complexed with MS-344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T64
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BU of 1t64 by Molmil
Crystal Structure of human HDAC8 complexed with Trichostatin A
Descriptor: CALCIUM ION, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
2O8Y
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BU of 2o8y by Molmil
Apo IRAK4 Kinase Domain
Descriptor: Interleukin-1 receptor-associated kinase 4
Authors:Boriack-Sjodin, P.A, Mol, C.
Deposit date:2006-12-12
Release date:2007-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the apo and inhibited IRAK4 kinase domain
To be Published
6TPE
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BU of 6tpe by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
Authors:Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
6TPF
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BU of 6tpf by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
Authors:Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
4OUA
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BU of 4oua by Molmil
Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-tungstotellurate(VI), COPPER (I) ION, ...
Authors:St.Mauracher, G, Molitor, C, Al-Oweini, R, Kortz, U, Rompel, A.
Deposit date:2014-02-15
Release date:2014-06-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Latent and active abPPO4 mushroom tyrosinase cocrystallized with hexatungstotellurate(VI) in a single crystal.
Acta Crystallogr.,Sect.D, 70, 2014
4PHI
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BU of 4phi by Molmil
Crystal structure of HEWL with hexatungstotellurate(VI)
Descriptor: 6-tungstotellurate(VI), ACETATE ION, GLYCEROL, ...
Authors:Bijelic, A, Molitor, C, Mauracher, S.G, Al-Oweini, R, Kortz, U, Rompel, A.
Deposit date:2014-05-06
Release date:2015-01-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Hen Egg-White Lysozyme Crystallisation: Protein Stacking and Structure Stability Enhanced by a Tellurium(VI)-Centred Polyoxotungstate.
Chembiochem, 16, 2015
2X9W
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BU of 2x9w by Molmil
STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE
Descriptor: CELL WALL SURFACE ANCHOR FAMILY PROTEIN, GLYCEROL
Authors:Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I.
Deposit date:2010-03-25
Release date:2010-06-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
2X9Y
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BU of 2x9y by Molmil
STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE
Descriptor: CELL WALL SURFACE ANCHOR FAMILY PROTEIN
Authors:Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I.
Deposit date:2010-03-25
Release date:2010-06-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
2X9X
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BU of 2x9x by Molmil
STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE
Descriptor: CELL WALL SURFACE ANCHOR FAMILY PROTEIN, IMIDAZOLE, SODIUM ION
Authors:Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I.
Deposit date:2010-03-25
Release date:2010-06-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
2X9Z
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BU of 2x9z by Molmil
STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE
Descriptor: CELL WALL SURFACE ANCHOR FAMILY PROTEIN
Authors:Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I.
Deposit date:2010-03-25
Release date:2010-06-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
2L4O
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BU of 2l4o by Molmil
Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain
Descriptor: Cell wall surface anchor family protein
Authors:Gentile, M.A, Melchiorre, S, Emolo, C, Moschioni, M, Gianfaldoni, C, Pancotto, L, Ferlenghi, I, Scarselli, M, Pansegrau, W, Veggi, D, Merola, M, Cantini, F, Ruggiero, P, Banci, L, Masignani, V.
Deposit date:2010-10-11
Release date:2011-03-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain: in vivo protection and implications for the molecular mechanisms of pilus polymerization
To be Published

 

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