4X24
 
 | | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | | Descriptor: | (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 | | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-11-25 | | Release date: | 2015-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
|
|
6U7T
 | | MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G) | | Descriptor: | Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ... | | Authors: | O'Shea Murray, V.L, Cao, S, Horvath, M.P, David, S.S. | | Deposit date: | 2019-09-03 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
|
|
3UJQ
 | | Galactose-specific lectin from Dolichos lablab in complex with galactose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-08 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
|
|
4RQX
 | | Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA | | Descriptor: | 1-THIOETHANESULFONIC ACID, Peroxiredoxin-4 | | Authors: | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | | Deposit date: | 2014-11-05 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
|
|
4UC0
 | | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis | | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | | Authors: | 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) | | Deposit date: | 2014-08-13 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
|
|
3ZR9
 | | Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1) | | Descriptor: | BETA-LACTAMASE NDM-1, CADMIUM ION, COBALT (II) ION, ... | | Authors: | Green, V.L, Verma, A, Owens, R.J, Phillips, S.E.V, Carr, S.B. | | Deposit date: | 2011-06-15 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of New Delhi Metallo-Beta-Lactamase 1 (Ndm-1).
Acta Crystallogr.,Sect.F, 67, 2011
|
|
4USC
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | 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. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
|
|
4W9A
 | | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 | | Descriptor: | Gamma-crystallin B | | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
|
|
3UK9
 | | Galactose-specific lectin from Dolichos lablab | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-09 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
|
|
5TC5
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride | | Descriptor: | (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 | | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | | Deposit date: | 2016-09-14 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | TBA
To be published
|
|
2X6P
 | | Crystal Structure of Coil Ser L19C | | Descriptor: | COIL SER L19C, ZINC ION | | Authors: | Chakraborty, S, Touw, D.S, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2010-02-18 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 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
 | | Est1E from Butyrivibrio proteoclasticus | | Descriptor: | EST1E, GLYCEROL, PHOSPHATE ION | | Authors: | Goldstone, D.C, Arcus, V.L. | | Deposit date: | 2009-09-17 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
|
|
2UZT
 | | PKA structures of AKT, indazole-pyridine inhibitors | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2007-05-01 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2007-05-01 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2007-05-01 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | 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. | | Deposit date: | 2007-05-01 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
 | | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | | Authors: | 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. | | Deposit date: | 2010-04-05 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
 | | Ferulic Acid bound to Est1E from Butyrivibrio proteoclasticus | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, EST1E, GLYCEROL, ... | | Authors: | Goldstone, D.C, Arcus, V.L. | | Deposit date: | 2009-09-17 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
|
|
1MG2
 | | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2002-08-14 | | Release date: | 2002-12-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 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
 | | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2002-08-14 | | Release date: | 2002-12-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
 | | Crystal structure of Reston ebolavirus VP35 RNA binding domain | | Descriptor: | Polymerase cofactor VP35 | | Authors: | Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O. | | Deposit date: | 2009-11-20 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression.
Proc.Natl.Acad.Sci.USA, 107, 2009
|
|
3KS8
 | | Crystal structure of Reston ebolavirus VP35 RNA binding domain in complex with 18bp dsRNA | | Descriptor: | 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 | | Authors: | Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O. | | Deposit date: | 2009-11-20 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression.
Proc.Natl.Acad.Sci.USA, 107, 2009
|
|
1YGP
 | | PHOSPHORYLATED FORM OF YEAST GLYCOGEN PHOSPHORYLASE WITH PHOSPHATE BOUND IN THE ACTIVE SITE. | | Descriptor: | PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, YEAST GLYCOGEN PHOSPHORYLASE | | Authors: | Lin, K, Rath, V.L, Dai, S.C, Fletterick, R.J, Hwang, P.K. | | Deposit date: | 1996-05-30 | | Release date: | 1996-12-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A protein phosphorylation switch at the conserved allosteric site in GP.
Science, 273, 1996
|
|
1U6Q
 | | Substituted 2-Naphthamadine inhibitors of Urokinase | | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | | Authors: | 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. | | Deposit date: | 2004-07-30 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
|
|
4W9B
 | | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1 | | Descriptor: | Gamma-crystallin B | | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.279 Å) | | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
|
|
