4AWM
 
 | | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with (-)-epigallocatechin gallate from green tea | | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, MANGANESE (II) ION, POLYMERASE PA | | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | | Deposit date: | 2012-06-04 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
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4AWK
 | | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 1 | | Descriptor: | (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA | | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | | Deposit date: | 2012-06-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
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1NSD
 | | INFLUENZA B VIRUS NEURAMINIDASE CAN SYNTHESIZE ITS OWN INHIBITOR | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Burmeister, W.P, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 1993-05-24 | | Release date: | 1993-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influenza B virus neuraminidase can synthesize its own inhibitor.
Structure, 1, 1993
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1QMW
 | | Solution structure of alpha-conotoxin SI | | Descriptor: | ALPHA-CONOTOXIN SI | | Authors: | Benie, A.J, Whitford, D, Hargittai, B, Barany, G, Janes, R.W. | | Deposit date: | 1999-10-08 | | Release date: | 2000-08-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Alpha-Conotoxin Si
FEBS Lett., 476, 2000
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1QMD
 | | calcium bound closed form alpha-toxin from Clostridium perfringens | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE C, ZINC ION | | Authors: | Naylor, C.E, Miller, J, Titball, R.W, Basak, A.K. | | Deposit date: | 1999-09-27 | | Release date: | 2000-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterisation of the Calcium-Binding C-Terminal Domain of Clostridium Perfringens Alpha-Toxin
J.Mol.Biol., 294, 1999
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1QM6
 | | Closed form of Clostridium perfringens alpha-toxin strain NCTC8237 | | Descriptor: | PHOSPHOLIPASE C, ZINC ION | | Authors: | Naylor, C.E, Miller, J, Titball, R.W, Basak, A.K. | | Deposit date: | 1999-09-21 | | Release date: | 1999-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Characterisation of the Calcium-Binding C-Terminal Domain of Clostridium Perfringens Alpha-Toxin
J.Mol.Biol., 294, 1999
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1QMB
 | | Cleaved alpha-1-antitrypsin polymer | | Descriptor: | ALPHA-1-ANTITRYPSIN | | Authors: | Huntington, J.A, Pannu, N.S, Hazes, B, Read, R.J, Lomas, D.A, Carrell, R.W. | | Deposit date: | 1999-09-24 | | Release date: | 2000-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A 2.6A Structure of a Serpin Polymer and Implications for Conformational Disease
J.Mol.Biol., 293, 1999
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1OBF
 | | The crystal structure of Glyceraldehyde 3-phosphate Dehydrogenase from Alcaligenes xylosoxidans at 1.7A resolution. | | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, POTASSIUM ION, SULFATE ION, ... | | Authors: | Antonyuk, S.V, Eady, R.R, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2003-01-30 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of Glyceraldehyde 3-Phosphate Dehydrogenase from Alcaligenes Xylosoxidans at 1.7 A Resolution
Acta Crystallogr.,Sect.D, 59, 2003
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4A7Q
 | | Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group. | | Descriptor: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ... | | Authors: | Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-24 | | Last modified: | 2013-08-28 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions.
Curr.Med.Chem., 20, 2013
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4A7G
 | | Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group. | | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ... | | Authors: | Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-24 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
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1R1L
 | | Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin P14-P9 peptide, Antithrombin-III, ... | | Authors: | Zhou, A, Huntington, J.A, Lomas, D.A, Stein, P.E, Carrell, R.W. | | Deposit date: | 2003-09-24 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Serpins and the design of peptides to block intermolecular beta-linkages
To be Published
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4AVG
 | | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2 | | Descriptor: | (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA | | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | | Deposit date: | 2012-05-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
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1R4G
 | | Solution structure of the Sendai virus protein X C-subdomain | | Descriptor: | RNA polymerase alpha subunit | | Authors: | Blanchard, L, Tarbouriech, N, Blackledge, M, Timmins, P, Burmeister, W.P, Ruigrok, R.W, Marion, D. | | Deposit date: | 2003-10-06 | | Release date: | 2004-03-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of the nucleocapsid-binding domain of the Sendai virus phosphoprotein in solution
Virology, 319, 2004
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4AWG
 | | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 3 | | Descriptor: | (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA, ... | | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | | Deposit date: | 2012-06-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
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4CHC
 | | Crystal structure of the N-terminal domain of the PA subunit of Thogoto virus polymerase (form 2) | | Descriptor: | POLYMERASE ACIDIC PROTEIN | | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 2013-12-01 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
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1QIC
 | | CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION | | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | | Deposit date: | 1999-06-11 | | Release date: | 2003-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
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4A7V
 | | Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group | | Descriptor: | COPPER (II) ION, L-DOPAMINE, SULFATE ION, ... | | Authors: | Wright, G.S.A, Antonyuk, S.V, Kershaw, N.M, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-11-28 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
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4AU1
 | | Crystal Structure of CobH (precorrin-8x methyl mutase) complexed with C5 desmethyl-HBA | | Descriptor: | DESMETHYL-HBA, PRECORRIN-8X METHYLMUTASE, SULFATE ION | | Authors: | Deery, E, Lawrence, A.D, Schroeder, S, Taylor, S.L, Seyedarabi, A, Vevodova, J, Wilson, K.S, Brown, D, Geeves, M.A, Howard, M.J, Pickersgill, R.W, Warren, M.J. | | Deposit date: | 2012-05-11 | | Release date: | 2012-09-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An Enzyme-Trap Approach Allows Isolation of Intermediates in Cobalamin Biosynthesis
Nat.Chem.Biol., 8, 2012
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4D4N
 | | Nitrosyl complex of the D121A variant of cytochrome c prime from Alcaligenes xylosoxidans | | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | | Authors: | Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W. | | Deposit date: | 2014-10-30 | | Release date: | 2015-09-09 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
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1PPN
 | | STRUCTURE OF MONOCLINIC PAPAIN AT 1.60 ANGSTROMS RESOLUTION | | Descriptor: | METHANOL, PAPAIN, UNKNOWN LIGAND | | Authors: | Pickersgill, R.W, Harris, G.W, Garman, E. | | Deposit date: | 1991-10-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Monoclinic Papain at 1.60 Angstroms Resolution
Acta Crystallogr.,Sect.B, 48, 1992
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1PMR
 | | LIPOYL DOMAIN FROM THE DIHYDROLIPOYL SUCCINYLTRANSFERASE COMPONENT OF THE 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF ESCHERICHIA COLI, NMR, 25 STRUCTURES | | Descriptor: | DIHYDROLIPOYL SUCCINYLTRANSFERASE | | Authors: | Ricaud, P.M, Howard, M.J, Roberts, E.L, Broadhurst, R.W, Perham, R.N. | | Deposit date: | 1997-07-24 | | Release date: | 1998-07-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the lipoyl domain from the dihydrolipoyl succinyltransferase component of the 2-oxoglutarate dehydrogenase multienzyme complex of Escherichia coli.
J.Mol.Biol., 264, 1996
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4CHD
 | | Crystal structure of the '627' domain of the PB2 subunit of Thogoto virus polymerase | | Descriptor: | POLYMERASE ACIDIC PROTEIN | | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 2013-12-01 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
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1RL9
 | | Crystal structure of Creatine-ADP arginine kinase ternary complex | | Descriptor: | (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, ... | | Authors: | Azzi, A, Clark, S.A, Ellington, R.W, Chapman, M.S. | | Deposit date: | 2003-11-25 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The role of phosphagen specificity loops in arginine kinase.
Protein Sci., 13, 2004
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4CO6
 | | Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex | | Descriptor: | BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ... | | Authors: | Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M. | | Deposit date: | 2014-01-27 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
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1RU4
 | | Crystal structure of pectate lyase Pel9A | | Descriptor: | CALCIUM ION, Pectate lyase | | Authors: | Jenkins, J, Shevchik, V.E, Hugouvieux-Cotte-Pattat, N, Pickersgill, R.W. | | Deposit date: | 2003-12-11 | | Release date: | 2004-04-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of pectate lyase Pel9A from Erwinia chrysanthemi
J.Biol.Chem., 279, 2004
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