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PDB: 709 件
4DJY
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Structure of BACE Bound to (R)-5-cyclopropyl-2-imino-3-methyl-5-(3-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)imidazolidin-4-one
分子名称: (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
3S2N
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BU of 3s2n by Molmil
Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp
分子名称: (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ...
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
登録日2011-05-16
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp
To be Published
3S2M
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Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp
分子名称: (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ...
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
登録日2011-05-16
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp
To be Published
4DJW
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BU of 4djw by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one
分子名称: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
7ESR
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BU of 7esr by Molmil
Crystal structure of Synechocystis sp PCC6803 guanidinium hydrolase (R32)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Mayans, O.M, Fleming, J.R.
登録日2021-05-11
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of a Ni 2+ -dependent guanidine hydrolase in bacteria.
Nature, 603, 2022
4DJX
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Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
分子名称: (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJU
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BU of 4dju by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
分子名称: (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
2MV0
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BU of 2mv0 by Molmil
Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690
分子名称: Maltose-binding periplasmic protein
著者Rossi, P, Lange, O.F, Sgourakis, N.G, Song, Y, Lee, H, Aramini, J.M, Ertekin, A, Xiao, R, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-09-18
公開日2014-12-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
分子名称: Pyruvate transaminase, SODIUM ION, SULFATE ION
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
1HSB
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BU of 1hsb by Molmil
DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE
分子名称: ALANINE, ARGININE, BOUND PEPTIDE FRAGMENT, ...
著者Guo, H.-C, Strominger, J.L, Wiley, D.C.
登録日1993-03-30
公開日1993-10-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Nature, 360, 1992
4E3Q
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BU of 4e3q by Molmil
PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
2YG8
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BU of 2yg8 by Molmil
Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA-3-methyladenine glycosidase II, ...
著者Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S.
登録日2011-04-11
公開日2011-04-20
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
1L7B
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BU of 1l7b by Molmil
Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT
分子名称: DNA LIGASE
著者Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2002-03-14
公開日2003-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
1SEB
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BU of 1seb by Molmil
COMPLEX OF THE HUMAN MHC CLASS II GLYCOPROTEIN HLA-DR1 AND THE BACTERIAL SUPERANTIGEN SEB
分子名称: ENDOGENOUS PEPTIDE MODEL, POLY-ALA, ENTEROTOXIN TYPE B, ...
著者Jardetzky, T.S, Brown, J.H, Gorga, J.C, Stern, L.J, Urban, R.G, Chi, Y.I, Stauffacher, C, Strominger, J.L, Wiley, D.C.
登録日1995-11-26
公開日1996-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Three-dimensional structure of a human class II histocompatibility molecule complexed with superantigen.
Nature, 368, 1994
4AD8
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BU of 4ad8 by Molmil
Crystal structure of a deletion mutant of Deinococcus radiodurans RecN
分子名称: DNA REPAIR PROTEIN RECN
著者Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
登録日2011-12-22
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.998 Å)
主引用文献Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
5ENF
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BU of 5enf by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
2YG9
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Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans
分子名称: CHLORIDE ION, DNA-3-methyladenine glycosidase II, putative, ...
著者Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S.
登録日2011-04-11
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
1HLA
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BU of 1hla by Molmil
STRUCTURE OF THE HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN, HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2) (ALPHA CHAIN)
著者Bjorkman, P.J, Saper, M.A, Samraoui, B, Bennett, W.S, Strominger, J.L, Wiley, D.C.
登録日1987-10-15
公開日1988-01-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the human class I histocompatibility antigen, HLA-A2.
Nature, 329, 1987
7FVT
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Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
分子名称: 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G.
登録日2023-04-18
公開日2023-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
7FVS
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Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one
分子名称: 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ...
著者Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G.
登録日2023-04-18
公開日2023-06-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
4ABX
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Crystal structure of Deinococcus radiodurans RecN coiled-coil domain
分子名称: DNA REPAIR PROTEIN RECN
著者Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J.
登録日2011-12-12
公開日2012-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
4C30
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Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, form 2
分子名称: DNA HELICASE II, DNA STRAND FOR25, DNA STRAND REV25, ...
著者Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J.
登録日2013-08-21
公開日2013-10-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
2IMI
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BU of 2imi by Molmil
Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity
分子名称: Epsilon-class Glutathione S-transferase, GLUTATHIONE
著者Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L.
登録日2006-10-02
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
2IL3
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Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity
分子名称: Epsilon-class Glutathione S-transferase
著者Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L.
登録日2006-10-02
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
2IMK
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Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity
分子名称: Epsilon-class Glutathione S-transferase, S-HEXYLGLUTATHIONE
著者Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L.
登録日2006-10-02
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008

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