5U88
 
 | | Crystal structure of a MerB-triimethyllead complex. | | Descriptor: | ACETATE ION, Alkylmercury lyase, Trimethyllead bromide | | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5U7B
 | | Crystal structure of a the tin-bound form of MerB formed from Diethyltin. | | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
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5FIP
 | | Discovery and characterization of a novel thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, ... | | Authors: | Zarafeta, D, Kissas, D, Sayer, C, Gudbergsdottir, S.R, Ladoukakis, E, Isupov, M.N, Chatziioannou, A, Peng, X, Littlechild, J.A, Skretas, G, Kolisis, F.N. | | Deposit date: | 2015-10-01 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and Characterization of a Thermostable and Highly Halotolerant Gh5 Cellulase from an Icelandic Hot Spring Isolate.
Plos One, 11, 2016
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3Q3F
 | | Engineering Domain-Swapped Binding Interfaces by Mutually Exclusive Folding: Insertion of Ubiquitin into position 103 of Barnase | | Descriptor: | Ribonuclease/Ubiquitin chimeric protein, SULFATE ION | | Authors: | Ha, J.-H, Karchin, J.M, Walker-Kopp, N, Huang, L.-S, Berry, E.A, Loh, S.N. | | Deposit date: | 2010-12-21 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.169 Å) | | Cite: | Engineering domain-swapped binding interfaces by mutually exclusive folding.
J.Mol.Biol., 416, 2012
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4CMD
 | | The (R)-selective transaminase from Nectria haematococca | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Sayer, C, Isupov, M, Martinez-Torres, R.J, Richter, N, Hailes, H.C, Ward, J, Littlechild, J. | | Deposit date: | 2014-01-16 | | Release date: | 2014-03-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Substrate Specificity, Enantioselectivity and Structure of the (R)-Selective Amine:Pyruvate Transaminase from Nectria Haematococca.
FEBS J., 281, 2014
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1B7G
 | | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE | | Descriptor: | PROTEIN (GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE), SULFATE ION | | Authors: | Isupov, M.N, Littlechild, J.A. | | Deposit date: | 1999-01-22 | | Release date: | 1999-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus.
J.Mol.Biol., 291, 1999
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1IAT
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHOGLUCOSE ISOMERASE/NEUROLEUKIN/AUTOCRINE MOTILITY FACTOR/MATURATION FACTOR | | Descriptor: | BETA-MERCAPTOETHANOL, PHOSPHOGLUCOSE ISOMERASE, SULFATE ION | | Authors: | Read, J.A, Pearce, J, Li, X, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2001-03-23 | | Release date: | 2001-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The crystal structure of human phosphoglucose isomerase at 1.6 A resolution: implications for catalytic mechanism, cytokine activity and haemolytic anaemia.
J.Mol.Biol., 309, 2001
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4F1E
 | | The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly | | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | | Deposit date: | 2012-05-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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4CMF
 | | The (R)-selective transaminase from Nectria haematococca with inhibitor bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, AMINOTRANSFERASE, ... | | Authors: | Sayer, C, Isupov, M, Martinez-Torres, R.J, Richter, N, Hailes, H.C, Ward, J, Littlechild, J. | | Deposit date: | 2014-01-16 | | Release date: | 2014-03-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Substrate Specificity, Enantioselectivity and Structure of the (R)-Selective Amine:Pyruvate Transaminase from Nectria Haematococca.
FEBS J., 281, 2014
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3QLQ
 | | Crystal structure of Concanavalin A bound to an octa-alpha-mannosyl-octasilsesquioxane cluster | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Sundberg, E.J, Bonsor, D.A, Trastoy, B, Chiara, J.L. | | Deposit date: | 2011-02-03 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis and Biophysical Study of Disassembling Nano hybrid Bioconjugates with a Cubic Octasilsesquioxane Core
Adv Funct Mater, 22, 2012
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5I9T
 | | Caspase 3 V266C | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-20 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAR
 | | Caspase 3 V266W | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3, ... | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAN
 | | Caspase 3 V266N | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3NTT
 | | Structural insights of Adeno-Associated virus 5. A gene therapy Vector for Cystic Fibrosis | | Descriptor: | Capsid protein, GLYCEROL, SODIUM ION | | Authors: | Govindasamy, L, DiMattia, M, Chiorini, J.A, McKenna, R, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2010-07-05 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structural insights into adeno-associated virus serotype 5.
J.Virol., 87, 2013
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5IBR
 | | Caspase 3 V266K | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1ETZ
 | | THE THREE-DIMENSIONAL STRUCTURE OF AN ANTI-SWEETENER FAB, NC10.14, SHOWS THE EXTENT OF STRUCTURAL DIVERSITY IN ANTIGEN RECOGNITION BY IMMUNOGLOBULINS | | Descriptor: | FAB NC10.14 - HEAVY CHAIN, FAB NC10.14 - LIGHT CHAIN, N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID | | Authors: | Guddat, L.W, Shan, L, Broomell, C, Ramsland, P.A, Fan, Z, Anchin, J.M, Linthicum, D.S, Edmundson, A.B. | | Deposit date: | 2000-04-13 | | Release date: | 2000-10-18 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The three-dimensional structure of a complex of a murine Fab (NC10. 14) with a potent sweetener (NC174): an illustration of structural diversity in antigen recognition by immunoglobulins.
J.Mol.Biol., 302, 2000
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1A2Z
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5IAG
 | | Caspase 3 V266Q | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7ADG
 | | Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.0794636 Å) | | Cite: | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR
To Be Published
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7DN2
 | | Acidic stable capsid structure of Helicobacter pylori bacteriophage KHP30 | | Descriptor: | Cement protein gp15, Major structural protein ORF14 | | Authors: | Kamiya, R, Uchiyama, J, Matsuzaki, S, Murata, K, Iwasaki, K, Miyazaki, N. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Acid-stable capsid structure of Helicobacter pylori bacteriophage KHP30 by single-particle cryoelectron microscopy.
Structure, 30, 2022
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4C5Q
 | | measles virus phosphoprotein tetramerization domain | | Descriptor: | PHOSPHOPROTEIN | | Authors: | Blocquel, D, Habchi, J, Durand, E, Sevajol, M, Ferron, F, Papageorgiou, N, Longhi, S. | | Deposit date: | 2013-09-14 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Coiled-Coil Deformations in Crystal Structures: The Measles Virus Phosphoprotein Multimerization Domain as an Illustrative Example.
Acta Crystallogr.,Sect.D, 70, 2014
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1JWQ
 | | Structure of the catalytic domain of CwlV, N-acetylmuramoyl-L-alanine amidase from Bacillus(Paenibacillus) polymyxa var.colistinus | | Descriptor: | N-ACETYLMURAMOYL-L-ALANINE AMIDASE CwlV, ZINC ION | | Authors: | Yamane, T, Koyama, Y, Nojiri, Y, Hikage, T, Akita, M, Suzuki, A, Shirai, T, Ise, F, Shida, T, Sekiguchi, J. | | Deposit date: | 2001-09-05 | | Release date: | 2003-11-18 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of the catalytic domain of N-acetylmuramoyl-L-alanine amidase, a cell wall hydrolase from Bacillus polymyxa var.colistinus and its resemblance to the structure of carboxypeptidases
To be Published
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4IHD
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7B0D
 | | Sugar transaminase from Archaeoglobus veneficus | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N. | | Deposit date: | 2020-11-19 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Sugar transaminases from hot environments
To Be Published
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