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2F6S
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BU of 2f6s by Molmil
Structure of cell filamentation protein (fic) from Helicobacter pylori
分子名称: PHOSPHATE ION, ZINC ION, cell filamentation protein, ...
著者Cuff, M.E, Xu, X, Zheng, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-11-29
公開日2006-01-10
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of cell filamentation protein (fic) from Helicobacter pylori
To be Published
4GUZ
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BU of 4guz by Molmil
Structure of the arylamine N-acetyltransferase from Mycobacterium abscessus
分子名称: Probable arylamine n-acetyl transferase
著者Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F.
登録日2012-08-30
公開日2013-10-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional characterization of an arylamine N-acetyltransferase from the pathogen Mycobacterium abscessus: differences from other mycobacterial isoforms and implications for selective inhibition.
Acta Crystallogr.,Sect.D, 70, 2014
3HVG
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BU of 3hvg by Molmil
Structure of bace (beta secretase) in Complex with EV0
分子名称: 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
著者Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A.
登録日2009-06-16
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
1B2K
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BU of 1b2k by Molmil
Structural effects of monovalent anions on polymorphic lysozyme crystals
分子名称: IODIDE ION, PROTEIN (LYSOZYME)
著者Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A.
登録日1998-11-26
公開日1998-12-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural effects of monovalent anions on polymorphic lysozyme crystals.
Acta Crystallogr.,Sect.D, 57, 2001
1Q6E
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BU of 1q6e by Molmil
Crystal Structure of Soybean Beta-Amylase Mutant (E178Y) with Increased pH Optimum at pH 5.4
分子名称: SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Hirata, A, Adachi, M, Sekine, A, Kang, Y.N, Utsumi, S, Mikami, B.
登録日2003-08-13
公開日2004-02-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
J.Biol.Chem., 279, 2004
4ZLB
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BU of 4zlb by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with lactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chandran, T, Sharma, A, Vijayan, M.
登録日2015-05-01
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
6DMJ
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BU of 6dmj by Molmil
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
4ZFU
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BU of 4zfu by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with N-acetyl D galactosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chandran, T, Sharma, A, Vijayan, M.
登録日2015-04-21
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
5W3V
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BU of 5w3v by Molmil
Crystal Structure of macaque APOBEC3H in complex with RNA
分子名称: Apobec3H, RNA (5'-R(P*AP*AP*CP*CP*CP*CP*GP*GP*GP*C)-3'), RNA (5'-R(P*AP*AP*CP*CP*CP*GP*GP*GP*GP*A)-3'), ...
著者Bohn, J.A, Thummar, K, York, A, Raymond, A, Brown, W.C, Bieniasz, P.D, Hatziioannou, T, Smith, J.L.
登録日2017-06-08
公開日2017-10-25
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA.
Nat Commun, 8, 2017
4ZA3
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BU of 4za3 by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd)-Native-3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chandran, T, Sharma, A, Vijayan, M.
登録日2015-04-13
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
4ZFW
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BU of 4zfw by Molmil
Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with galactose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Chandran, T, Sharma, A, Vijayan, M.
登録日2015-04-21
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
1VBO
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BU of 1vbo by Molmil
Crystal structure of artocarpin-mannotriose complex
分子名称: alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin
著者Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M.
登録日2004-02-28
公開日2004-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
1Q08
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BU of 1q08 by Molmil
Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator, at 1.9 A resolution (space group P212121)
分子名称: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
著者Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A.
登録日2003-07-15
公開日2003-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
3LBK
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BU of 3lbk by Molmil
Structure of human MDM2 protein in complex with a small molecule inhibitor
分子名称: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
登録日2010-01-08
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
1Z1Z
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BU of 1z1z by Molmil
NMR structure of the gpu tail protein from lambda bacteriophage
分子名称: Minor tail protein U
著者Edmonds, L, Maxwell, K, Davidson, A, Donaldson, L.W.
登録日2005-03-07
公開日2006-04-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR structure of the gpU tail-terminator protein from bacteriophage lambda: identification of sites contributing to Mg(II)-mediated oligomerization and biological function.
J.Mol.Biol., 365, 2007
2GTS
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BU of 2gts by Molmil
Structure of Protein of Unknown Function HP0062 from Helicobacter pylori
分子名称: hypothetical protein HP0062
著者Binkowski, T.A, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-04-28
公開日2006-05-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hypothetical protein HP0062 from Helicobacter pylori
To be Published
1Q05
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BU of 1q05 by Molmil
Crystal structure of the Cu(I) form of E. coli CueR, a copper efflux regulator
分子名称: COPPER (I) ION, Transcriptional regulator cueR
著者Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A.
登録日2003-07-15
公開日2003-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR
Science, 301, 2003
1Q6G
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BU of 1q6g by Molmil
Crystal Structure of Soybean Beta-Amylase Mutant (N340T) with Increased pH Optimum
分子名称: SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Hirata, A, Adachi, M, Sekine, A, Kang, Y.N, Utsumi, S, Mikami, B.
登録日2003-08-13
公開日2004-02-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
J.Biol.Chem., 279, 2004
1Q6F
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BU of 1q6f by Molmil
Crystal Structure of Soybean Beta-Amylase Mutant (E178Y) with Increased pH Optimum at pH 7.1
分子名称: SULFATE ION, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Hirata, A, Adachi, M, Sekine, A, Kang, Y.N, Utsumi, S, Mikami, B.
登録日2003-08-13
公開日2004-02-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Enzymatic Analysis of Soybean {beta}-Amylase Mutants with Increased pH Optimum
J.Biol.Chem., 279, 2004
2OBO
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BU of 2obo by Molmil
Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
分子名称: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
4H57
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Thermolysin inhibition
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2012-09-18
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Angew.Chem.Int.Ed.Engl., 52, 2013
3L3H
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BU of 3l3h by Molmil
X-ray crystal structure of the F6A mutant of influenza A acid polymerase epitope PA224 bound to murine H2-Db MHC
分子名称: 10-mer peptide from Polymerase acidic protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Welland, A, Clements, C.S, Dunstone, M.A, Rossjohn, J.
登録日2009-12-17
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
3KEP
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BU of 3kep by Molmil
Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae
分子名称: 1,2-ETHANEDIOL, Nucleoporin NUP145
著者Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-26
公開日2009-12-22
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145.
Proteins, 78, 2010
2NTY
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BU of 2nty by Molmil
Rop4-GDP-PRONE8
分子名称: Emb|CAB41934.1, GUANOSINE-5'-DIPHOSPHATE, Rac-like GTP-binding protein ARAC5
著者Thomas, C, Fricke, I, Scrima, A, Berken, A, Wittinghofer, A.
登録日2006-11-08
公開日2007-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Evidence for a Common Intermediate in Small G Protein-GEF Reactions
Mol.Cell, 25, 2007
6DMI
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BU of 6dmi by Molmil
A multiconformer ligand model of 5T5 bound to BACE-1
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018

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