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3DTU
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BU of 3dtu by Molmil
Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ...
著者Qin, L, Mills, D.A, Buhrow, L, Hiser, C, Ferguson-Miller, S.
登録日2008-07-15
公開日2008-09-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A conserved steroid binding site in cytochrome C oxidase.
Biochemistry, 47, 2008
2I0V
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BU of 2i0v by Molmil
c-FMS tyrosine kinase in complex with a quinolone inhibitor
分子名称: 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE, SULFATE ION, cFMS tyrosine kinase
著者Schubert, C, Schalk-Hihi, C.
登録日2006-08-11
公開日2006-11-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors.
J.Biol.Chem., 282, 2007
2EBP
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BU of 2ebp by Molmil
Solution structure of the SH3 domain from human SAM and SH3 domain containing protein 1
分子名称: SAM and SH3 domain-containing protein 1
著者Zhang, H.P, Kurosaki, C, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2007-08-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the SH3 domain from human SAM and SH3 domain containing protein 1
To be published
5QH9
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BU of 5qh9 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102716
分子名称: 1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
4D71
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BU of 4d71 by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant)
分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ...
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-19
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
5QJ8
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BU of 5qj8 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2856434829
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3V80
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BU of 3v80 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine
分子名称: 5'-O-prop-2-yn-1-yladenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0301 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
5QJT
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BU of 5qjt by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z969560582
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
2EO5
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BU of 2eo5 by Molmil
Crystal structure of 4-aminobutyrate aminotransferase from Sulfolobus tokodaii strain7
分子名称: 1,2-ETHANEDIOL, 419aa long hypothetical aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-29
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of 4-aminobutyrate aminotransferase from Sulfolobus tokodaii strain7
To be Published
4D6J
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BU of 4d6j by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant)
分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-11
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
1GXM
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BU of 1gxm by Molmil
Family 10 polysaccharide lyase from Cellvibrio cellulosa
分子名称: GLYCEROL, PECTATE LYASE
著者Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
登録日2002-04-08
公開日2002-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
3V7W
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BU of 3v7w by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine
分子名称: 5'-azido-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.0102 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3V8Q
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BU of 3v8q by Molmil
Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine
分子名称: 5'-amino-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G.
登録日2011-12-23
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
3CZV
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BU of 3czv by Molmil
Crystal structure of the human carbonic anhydrase XIII in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 13, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2008-04-30
公開日2008-07-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
1WOK
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BU of 1wok by Molmil
Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase complexed with a quinoxaline-type inhibitor
分子名称: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Poly [ADP-ribose] polymerase-1
著者Iwashita, A, Hattori, K, Yamamoto, H, Ishida, J, Kido, Y, Kamijo, K, Murano, K, Miyake, H, Kinoshita, T, Warizaya, M, Ohkubo, M, Matsuoka, N, Mutoh, S.
登録日2004-08-20
公開日2005-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors.
Febs Lett., 579, 2005
2EE7
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BU of 2ee7 by Molmil
Solution structure of the CH domain from human Sperm flagellar protein 1
分子名称: Sperm flagellar protein 1
著者Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-15
公開日2007-08-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the CH domain from human Sperm flagellar protein 1
To be Published
3QSD
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BU of 3qsd by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor
分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ...
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-02-21
公開日2011-08-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
4P70
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BU of 4p70 by Molmil
Crystal Structure of Unmodified tRNA Proline (CGG) Bound to Codon CCG on the Ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Maehigashi, T, Dunkle, J.A, Dunham, C.M.
登録日2014-03-25
公開日2014-08-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.68 Å)
主引用文献Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
2PX8
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BU of 2px8 by Molmil
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH and 7M-GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF)
登録日2007-05-14
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
5QJC
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BU of 5qjc by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z755044716
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
1H2J
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BU of 1h2j by Molmil
ENDOGLUCANASE CEL5A IN COMPLEX WITH UNHYDROLYSED AND COVALENTLY LINKED 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-CELLOBIOSIDE AT 1.15 A RESOLUTION
分子名称: 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE, ENDOGLUCANASE 5A, GLYCEROL, ...
著者Varrot, A, Davies, G.J.
登録日2002-08-09
公開日2002-08-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Direct Experimental Observation of the Hydrogen-Bonding Network of a Glycosidase Along its Reaction Coordinate Revealed by Atomic Resolution Analyses of Endoglucanase Cel5A
Acta Crystallogr.,Sect.D, 59, 2003
5QK4
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BU of 5qk4 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44590919
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3NM6
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BU of 3nm6 by Molmil
Helicobacter pylori MTAN complexed with adenine and tris
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, ...
著者Ronning, D.R, Iacopelli, N.M.
登録日2010-06-21
公開日2010-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Enzyme-ligand interactions that drive active site rearrangements in the Helicobacter pylori 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
Protein Sci., 19, 2010
3QVK
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BU of 3qvk by Molmil
Allantoin racemase from Klebsiella pneumoniae
分子名称: 1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA, Putative hydantoin racemase
著者French, J.B, Neau, D.B, Ealick, S.E.
登録日2011-02-25
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Characterization of the Structure and Function of Klebsiella pneumoniae Allantoin Racemase.
J.Mol.Biol., 410, 2011
1H49
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BU of 1h49 by Molmil
CRYSTAL STRUCTURE OF THE INACTIVE DOUBLE MUTANT OF THE MAIZE BETA-GLUCOSIDASE ZMGLU1-E191D-F198V IN COMPLEX WITH DIMBOA-GLUCOSIDE
分子名称: 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE, beta-D-glucopyranose
著者Czjzek, M, Moriniere, J, Verdoucq, L, Bevan, D.R, Henrissat, B, Esen, A.
登録日2003-02-25
公開日2003-03-11
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutational and Structural Analysis of Aglycone Specificity in Maize and Sorghum Beta-Glucosidases
J.Biol.Chem., 278, 2003

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