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4X24
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Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TRIETHYLENE GLYCOL
著者Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
登録日2014-11-25
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
6U7T
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MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
分子名称: Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ...
著者O'Shea Murray, V.L, Cao, S, Horvath, M.P, David, S.S.
登録日2019-09-03
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
3UJQ
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BU of 3ujq by Molmil
Galactose-specific lectin from Dolichos lablab in complex with galactose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K.
登録日2011-11-08
公開日2012-11-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
4RQX
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BU of 4rqx by Molmil
Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA
分子名称: 1-THIOETHANESULFONIC ACID, Peroxiredoxin-4
著者Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L.
登録日2014-11-05
公開日2015-04-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
4UC0
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Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
分子名称: HYPOXANTHINE, Purine nucleoside phosphorylase
著者Cameron, S.A, Sampathkumar, P, Ramagopal, U.A, Attonito, J, Ahmed, M, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-08-13
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
3ZR9
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BU of 3zr9 by Molmil
Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1)
分子名称: BETA-LACTAMASE NDM-1, CADMIUM ION, COBALT (II) ION, ...
著者Green, V.L, Verma, A, Owens, R.J, Phillips, S.E.V, Carr, S.B.
登録日2011-06-15
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of New Delhi Metallo-Beta-Lactamase 1 (Ndm-1).
Acta Crystallogr.,Sect.F, 67, 2011
4USC
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Crystal structure of peroxidase from palm tree Chamaerops excelsa
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I.
登録日2014-07-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
4W9A
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BU of 4w9a by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2
分子名称: Gamma-crystallin B
著者Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
登録日2014-08-27
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
3UK9
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BU of 3uk9 by Molmil
Galactose-specific lectin from Dolichos lablab
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K.
登録日2011-11-09
公開日2012-11-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
5TC5
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BU of 5tc5 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献TBA
To be published
2X6P
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BU of 2x6p by Molmil
Crystal Structure of Coil Ser L19C
分子名称: COIL SER L19C, ZINC ION
著者Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
登録日2010-02-18
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Comparisons of Apo- and Metalated Three-Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides.
J.Am.Chem.Soc., 132, 2010
2WTM
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Est1E from Butyrivibrio proteoclasticus
分子名称: EST1E, GLYCEROL, PHOSPHATE ION
著者Goldstone, D.C, Arcus, V.L.
登録日2009-09-17
公開日2010-01-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
2UZT
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BU of 2uzt by Molmil
PKA structures of AKT, indazole-pyridine inhibitors
分子名称: (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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BU of 2uzu by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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BU of 2uzv by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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PKA structures of indazole-pyridine series of AKT inhibitors
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2XB4
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BU of 2xb4 by Molmil
Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas
分子名称: ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION
著者Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J.
登録日2010-04-05
公開日2010-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
J.Biol.Inorg.Chem., 16, 2011
2WTN
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BU of 2wtn by Molmil
Ferulic Acid bound to Est1E from Butyrivibrio proteoclasticus
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, EST1E, GLYCEROL, ...
著者Goldstone, D.C, Arcus, V.L.
登録日2009-09-17
公開日2010-01-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
1MG2
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BU of 1mg2 by Molmil
MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
分子名称: Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ...
著者Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L.
登録日2002-08-14
公開日2002-12-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献MUTATION OF AlPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
Biochemistry, 41, 2002
1MG3
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BU of 1mg3 by Molmil
MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
分子名称: Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ...
著者Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L.
登録日2002-08-14
公開日2002-12-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
Biochemistry, 41, 2002
3KS4
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BU of 3ks4 by Molmil
Crystal structure of Reston ebolavirus VP35 RNA binding domain
分子名称: Polymerase cofactor VP35
著者Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O.
登録日2009-11-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression.
Proc.Natl.Acad.Sci.USA, 107, 2009
3KS8
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Crystal structure of Reston ebolavirus VP35 RNA binding domain in complex with 18bp dsRNA
分子名称: 5'-R(*AP*GP*AP*AP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*A)-3', 5'-R(*UP*CP*CP*UP*CP*CP*CP*UP*CP*CP*CP*UP*CP*CP*UP*UP*CP*U)-3', Polymerase cofactor VP35
著者Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O.
登録日2009-11-20
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression.
Proc.Natl.Acad.Sci.USA, 107, 2009
1YGP
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PHOSPHORYLATED FORM OF YEAST GLYCOGEN PHOSPHORYLASE WITH PHOSPHATE BOUND IN THE ACTIVE SITE.
分子名称: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, YEAST GLYCOGEN PHOSPHORYLASE
著者Lin, K, Rath, V.L, Dai, S.C, Fletterick, R.J, Hwang, P.K.
登録日1996-05-30
公開日1996-12-23
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A protein phosphorylation switch at the conserved allosteric site in GP.
Science, 273, 1996
1U6Q
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Substituted 2-Naphthamadine inhibitors of Urokinase
分子名称: TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator
著者Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
4W9B
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Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1
分子名称: Gamma-crystallin B
著者Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
登録日2014-08-27
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published

221051

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