5BRV
 
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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7ZZI
 | | Plasmodium falciparum hexokinase complexed with glucose and citrate | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | | Authors: | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | | Deposit date: | 2022-05-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Int J Mol Sci, 24, 2023
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4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | Deposit date: | 2012-04-27 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | Deposit date: | 2014-12-18 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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2NBT
 | | NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES | | Descriptor: | NEURONAL BUNGAROTOXIN | | Authors: | Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M. | | Deposit date: | 1997-10-29 | | Release date: | 1998-03-11 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics.
Biochemistry, 31, 1992
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8FWB
 | | Portal assembly of Agrobacterium phage Milano | | Descriptor: | Portal protein, gp7 | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-20 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FOU
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube | | Descriptor: | Virion-associated protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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8FOY
 | | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath | | Descriptor: | Tail sheath protein | | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | | Deposit date: | 2023-01-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
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4N1L
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | Descriptor: | NACHT, LRR and PYD domains-containing protein 14 | | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | Deposit date: | 2013-10-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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4CBA
 | | Structural of delta 1-76 CTNNBL1 in space group I222 | | Descriptor: | 1,2-ETHANEDIOL, BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha.
Febs Lett., 588, 2014
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4N1K
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | Descriptor: | NACHT, LRR and PYD domains-containing protein 14 | | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | Deposit date: | 2013-10-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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4N1J
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | Descriptor: | GLYCEROL, NACHT, LRR and PYD domains-containing protein 14 | | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | Deposit date: | 2013-10-04 | | Release date: | 2014-07-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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5IE1
 | | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | | Deposit date: | 2016-02-24 | | Release date: | 2016-03-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
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2JUY
 | | NMR ensemble of Neopetrosiamide A | | Descriptor: | Neopetrosiamide A | | Authors: | Austin, P, Williams, D.E, Heller, M, McIntosh, L.P, Andersen, R.J, Roberge, M, Roskelley, C.D. | | Deposit date: | 2007-09-05 | | Release date: | 2008-08-26 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | NMR ensemble of Neopetrosiamide A
To be Published
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4CB8
 | | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha | | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
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4CB9
 | | Structure of full-length CTNNBL1 in P43212 space group | | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1 | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
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2CH5
 | | Crystal structure of human N-acetylglucosamine kinase in complex with N-acetylglucosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | | Deposit date: | 2006-03-13 | | Release date: | 2006-09-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
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4H1V
 | | GMP-PNP bound dynamin-1-like protein GTPase-GED fusion | | Descriptor: | Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P. | | Deposit date: | 2012-09-11 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
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2CH6
 | | Crystal structure of human N-acetylglucosamine kinase in complex with ADP and glucose | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-ACETYL-D-GLUCOSAMINE KINASE, alpha-D-glucopyranose | | Authors: | Weihofen, W.A, Berger, M, Chen, H, Saenger, W, Hinderlich, S. | | Deposit date: | 2006-03-13 | | Release date: | 2006-09-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structures of Human N-Acetylglucosamine Kinase in Two Complexes with N-Acetylglucosamine and with Adp/Glucose: Insights Into Substrate Specificity and Regulation.
J.Mol.Biol., 364, 2006
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