2GDV
 
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4GP7
 | | Polynucleotide kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Wang, L.K, Das, U, Smith, P, Shuman, S. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-14 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of the polynucleotide kinase component of the bacterial Pnkp-Hen1 RNA repair system.
Rna, 18, 2012
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4GQR
 | | Human Pancreatic alpha-amylase in complex with myricetin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ... | | Authors: | Williams, L.K, Brayer, G.D. | | Deposit date: | 2012-08-23 | | Release date: | 2012-10-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
J.Med.Chem., 55, 2012
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4GP6
 | | Polynucleotide kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase | | Authors: | Wang, L.K, Das, U, Smith, P, Shuman, S. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the polynucleotide kinase component of the bacterial Pnkp-Hen1 RNA repair system.
Rna, 18, 2012
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4GQQ
 | | Human pancreatic alpha-amylase with bound ethyl caffeate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Williams, L.K, Brayer, G.D. | | Deposit date: | 2012-08-23 | | Release date: | 2012-10-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
J.Med.Chem., 55, 2012
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4G7N
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4FIL
 | | Structure of FhuD2 from Staphylococcus Aureus with Bound Ferrioxamine B | | Descriptor: | 1,2-ETHANEDIOL, Ferric hydroxamate receptor 2, Ferrioxamine B, ... | | Authors: | Briere, L.K, Heinrichs, D.E, Shilton, B.H. | | Deposit date: | 2012-06-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal and solution structure analysis of FhuD2 from Staphylococcus aureus in multiple unliganded conformations and bound to ferrioxamine-B.
Biochemistry, 53, 2014
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2GE4
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2GDU
 | | E232Q mutant of sucrose phosphorylase from BIFIDOBACTERIUM ADOLESCENTIS in complex with sucrose | | Descriptor: | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, sucrose phosphorylase | | Authors: | Skov, L.K, Mirza, O, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2006-03-17 | | Release date: | 2006-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Rearrangements of Sucrose Phosphorylase from Bifidobacterium adolescentis during Sucrose Conversion
J.Biol.Chem., 281, 2006
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2FAQ
 | | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with ATP and Manganese | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | | Deposit date: | 2005-12-07 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
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2FAO
 | | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain | | Descriptor: | SULFATE ION, probable ATP-dependent DNA ligase | | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | | Deposit date: | 2005-12-07 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
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4HS2
 | | Crystal Structure of the Human SPOP C-terminal Domain | | Descriptor: | Speckle-type POZ protein | | Authors: | Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C. | | Deposit date: | 2012-10-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP.
Acta Crystallogr.,Sect.D, 69, 2013
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1TTB
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2VO6
 | | Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VRK
 | | Structure of a seleno-methionyl derivative of wild type arabinofuranosidase from Thermobacillus xylanilyticus | | Descriptor: | ALPHA-L-ARABINOFURANOSIDASE, PHOSPHATE ION | | Authors: | Paes, G, Skov, L.K, ODonohue, M.J, Remond, C, Kastrup, J.S, Gajhede, M, Mirza, O. | | Deposit date: | 2008-04-09 | | Release date: | 2008-07-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of the Complex between a Branched Pentasaccharide and Thermobacillus Xylanilyticus Gh-51 Arabinofuranosidase Reveals Xylan-Binding Determinants and Induced Fit.
Biochemistry, 47, 2008
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2VNW
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | | Descriptor: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VO3
 | | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | | Descriptor: | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VO7
 | | Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VRQ
 | | STRUCTURE OF AN INACTIVE MUTANT OF ARABINOFURANOSIDASE FROM THERMOBACILLUS XYLANILYTICUS IN COMPLEX WITH A PENTASACCHARIDE | | Descriptor: | ALPHA-L-ARABINOFURANOSIDASE, PHOSPHATE ION, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | | Authors: | Paes, G, Skov, L.K, Odonohue, M.J, Remond, C, Kastrup, J.S, Gajhede, M, Mirza, O. | | Deposit date: | 2008-04-09 | | Release date: | 2008-07-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of the Complex between a Branched Pentasaccharide and Thermobacillus Xylanilyticus Gh-51 Arabinofuranosidase Reveals Xylan-Binding Determinants and Induced Fit.
Biochemistry, 47, 2008
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2VNY
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine | | Descriptor: | 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2VO0
 | | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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1VR4
 | | Crystal Structure of MCSG TArget APC22750 from Bacillus cereus | | Descriptor: | hypothetical protein APC22750 | | Authors: | Yang, X, Brunzelle, J.S, McNamara, L.K, Minasov, G, Shuvalova, L, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-01-31 | | Release date: | 2005-02-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of MCSG TArget APC22750 from Bacillus cereus
To be Published
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1TTA
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1TTC
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1XOO
 | | NMR structure of G1S mutant of influenza hemagglutinin fusion peptide in DPC micelles at pH 5 | | Descriptor: | Hemagglutinin | | Authors: | Li, Y, Han, X, Lai, A.L, Bushweller, J.H, Cafiso, D.S, Tamm, L.K. | | Deposit date: | 2004-10-06 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Membrane structures of the hemifusion-inducing fusion peptide mutant G1S and the fusion-blocking mutant G1V of influenza virus hemagglutinin suggest a mechanism for pore opening in membrane fusion.
J.Virol., 79, 2005
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