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4L5U
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BU of 4l5u by Molmil
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Gill, S, McKenna, R.
登録日2013-06-11
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
5UP9
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BU of 5up9 by Molmil
Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate
分子名称: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ...
著者Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A.
登録日2017-02-01
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
2CFU
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BU of 2cfu by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-decane-sulfonic-acid.
分子名称: 1-DECANE-SULFONIC-ACID, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ...
著者Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
登録日2006-02-23
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
5DIS
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BU of 5dis by Molmil
Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214
分子名称: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Monecke, T, Port, S.A, Dickmanns, A, Kehlenbach, R.H, Ficner, R.
登録日2015-09-01
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export.
Cell Rep, 13, 2015
5UWQ
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BU of 5uwq by Molmil
Crystal Structure of CDC7 NES Peptide in complex with CRM1-Ran-RanBP1
分子名称: Cell division cycle 7-related protein kinase, Exportin-1, GLYCEROL, ...
著者Fung, H.Y.J, Chook, Y.M.
登録日2017-02-21
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Nuclear export receptor CRM1 recognizes diverse conformations in nuclear export signals.
Elife, 6, 2017
5D5N
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BU of 5d5n by Molmil
Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Complex
分子名称: Virion egress protein UL31 homolog, Virion egress protein UL34 homolog, ZINC ION
著者Walzer, S.A, Egerer-Sieber, C, Hohl, K, Sevvana, M, Muller, Y.A.
登録日2015-08-11
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions.
J.Biol.Chem., 290, 2015
3G5T
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BU of 3g5t by Molmil
Crystal structure of trans-aconitate 3-methyltransferase from yeast
分子名称: (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Burgie, E.S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2009-02-05
公開日2009-03-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.119 Å)
主引用文献Crystal structure of trans-aconitate 3-methyltransferase from yeast
To be Published
1BWY
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BU of 1bwy by Molmil
NMR STUDY OF BOVINE HEART FATTY ACID BINDING PROTEIN
分子名称: PROTEIN (HEART FATTY ACID BINDING PROTEIN)
著者Lassen, D, Luecke, C, Kveder, M, Mesgarzadeh, A, Schmidt, J.M, Specht, B, Lezius, A, Spener, F, Rueterjans, H.
登録日1998-09-29
公開日1998-10-07
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of bovine heart fatty-acid-binding protein with bound palmitic acid, determined by multidimensional NMR spectroscopy.
Eur.J.Biochem., 230, 1995
4RLQ
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BU of 4rlq by Molmil
Crystal structure of a benzoate coenzyme A ligase with o-Toluic acid
分子名称: 2-methylbenzoic acid, Benzoate-coenzyme A ligase, GLYCEROL
著者Strom, S, Nosrati, M, Thornburg, C, Walker, K.D, Geiger, J.H.
登録日2014-10-17
公開日2015-09-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
6R6F
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BU of 6r6f by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
4RMS
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BU of 4rms by Molmil
Crystal structure of the D53N Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
6R6G
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BU of 6r6g by Molmil
Structure of XBP1u-paused ribosome nascent chain complex with SRP.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shanmuganathan, V, Cheng, J, Braunger, K, Berninghausen, O, Beatrix, B, Beckmann, R.
登録日2019-03-27
公開日2019-07-10
最終更新日2019-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
6R6P
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BU of 6r6p by Molmil
Structure of XBP1u-paused ribosome nascent chain complex (rotated state)
分子名称: 18S rRNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shanmuganathan, V, Cheng, J, Berninghausen, O, Beckmann, R.
登録日2019-03-27
公開日2019-07-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
5ORR
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BU of 5orr by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
4RQI
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BU of 4rqi by Molmil
Structure of TRF2/RAP1 secondary interaction binding site
分子名称: GLYCEROL, MAGNESIUM ION, Telomeric repeat-binding factor 2, ...
著者Miron, S, Guimaraes, B, Gaullier, G, Giraud-Panis, M.-J, Gilson, E, Le Du, M.-H.
登録日2014-11-03
公開日2016-02-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4405 Å)
主引用文献A higher-order entity formed by the flexible assembly of RAP1 with TRF2.
Nucleic Acids Res., 44, 2016
5DIT
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BU of 5dit by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
分子名称: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Feng, X, Sippel, C, Bracher, A, Hausch, F.
登録日2015-09-01
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.
J.Med.Chem., 58, 2015
5UQV
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BU of 5uqv by Molmil
USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)
分子名称: 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-02-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
4S14
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BU of 4s14 by Molmil
Crystal structure of the orphan nuclear receptor RORgamma ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8)
分子名称: (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Huang, P, Santori, F.R, Littman, D.R, Rastinejad, F.
登録日2015-01-07
公開日2015-02-11
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (3.542 Å)
主引用文献Identification of Natural ROR gamma Ligands that Regulate the Development of Lymphoid Cells.
Cell Metab, 21, 2015
6R6J
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BU of 6r6j by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
5UWR
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BU of 5uwr by Molmil
Crystal Structure of CDC7 NES Peptide (extended) in complex with CRM1-Ran-RanBP1
分子名称: CHLORIDE ION, Cell division cycle 7-related protein kinase, Exportin-1, ...
著者Fung, H.Y.J, Chook, Y.M.
登録日2017-02-21
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Nuclear export receptor CRM1 recognizes diverse conformations in nuclear export signals.
Elife, 6, 2017
6ZS0
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BU of 6zs0 by Molmil
Crystal structure of 5-dimethylallyltryptophan synthase from Streptomyces coelicolor
分子名称: DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase
著者Ostertag, E, Broger, K, Stehle, T, Zocher, G.
登録日2020-07-15
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
4CO9
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BU of 4co9 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis
分子名称: 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
著者Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
登録日2014-01-27
公開日2014-04-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
3KND
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BU of 3knd by Molmil
TPX2:importin-alpha complex
分子名称: Importin subunit alpha-2, SULFATE ION, Targeting protein for Xklp2
著者Stewart, M.
登録日2009-11-12
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Novel binding of the mitotic regulator TPX2 (target protein for Xenopus kinesin-like protein 2) to importin-alpha.
J.Biol.Chem., 285, 2010
6R7Q
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BU of 6r7q by Molmil
Structure of XBP1u-paused ribosome nascent chain complex with Sec61.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shanmuganathan, V, Cheng, J, Braunger, K, Berninghausen, O, Beatrix, B, Beckmann, R.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
5OS0
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BU of 5os0 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017

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