2D41
 
 | | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor | | Descriptor: | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID, polyprotein | | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | Deposit date: | 2005-10-05 | | Release date: | 2006-08-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
J.Mol.Biol., 361, 2006
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2Y80
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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2Y7X
 | | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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2GIH
 | | Q138F HincII bound to cognate DNA GTCGAC and Ca2+ | | Descriptor: | 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*GP*C)-3', CALCIUM ION, Type II restriction enzyme HincII | | Authors: | Horton, N.C, Joshi, H.K, Etzkorn, C, Chatwell, L, Bitinaite, J. | | Deposit date: | 2006-03-28 | | Release date: | 2006-07-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Alteration of Sequence Specificity of the Type II Restriction Endonuclease HincII through an Indirect Readout Mechanism.
J.Biol.Chem., 281, 2006
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2GIG
 | | Alteration of sequence specificity of the type II restriction endonuclease HINCII through an indirect readout mechanism | | Descriptor: | 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*GP*C)-3', SODIUM ION, Type II restriction enzyme HincII | | Authors: | Horton, N.C, Joshi, H.K, Etzkorn, C, Chatwell, L, Bitinaite, J. | | Deposit date: | 2006-03-28 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Alteration of Sequence Specificity of the Type II Restriction Endonuclease HincII through an Indirect Readout Mechanism.
J.Biol.Chem., 281, 2006
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2GIE
 | | HincII bound to cognate DNA GTTAAC | | Descriptor: | 5'-D(*GP*CP*CP*GP*GP*TP*TP*AP*AP*CP*CP*GP*G)-3', SODIUM ION, Type II restriction enzyme HincII | | Authors: | Horton, N.C, Joshi, H.K, Etzkorn, C, Chatwell, L, Bitinaite, J. | | Deposit date: | 2006-03-28 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Alteration of Sequence Specificity of the Type II Restriction Endonuclease HincII through an Indirect Readout Mechanism.
J.Biol.Chem., 281, 2006
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1TZY
 | | Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution | | Descriptor: | CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ... | | Authors: | Wood, C.M, Nicholson, J.M, Chantalat, L, Reynolds, C.D, Lambert, S.J, Baldwin, J.P. | | Deposit date: | 2004-07-12 | | Release date: | 2004-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of the native histone octamer.
Acta Crystallogr.,Sect.F, 61, 2005
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3LRH
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3LRG
 | | Structure of anti-huntingtin VL domain | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IMIDAZOLE, anti-huntingtin VL domain | | Authors: | Schiefner, A, Chatwell, L, Skerra, A. | | Deposit date: | 2010-02-11 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Disulfide-Free Single-Domain V(L) Intrabody with Blocking Activity towards Huntingtin Reveals a Novel Mode of Epitope Recognition.
J.Mol.Biol., 414, 2011
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2J94
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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4ACJ
 | | Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish | | Descriptor: | WU:FB25H12 PROTEIN, | | Authors: | Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S. | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
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1A67
 | | CHICKEN EGG WHITE CYSTATIN WILDTYPE, NMR, 16 STRUCTURES | | Descriptor: | CYSTATIN | | Authors: | Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H. | | Deposit date: | 1998-03-06 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
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2Y3I
 | | The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bowler, M.W, Chaloin, L, Lionne, C. | | Deposit date: | 2010-12-21 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage?
J.Mol.Biol., 409, 2011
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2Y6K
 | | Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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4AA6
 | | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation | | Descriptor: | 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP *CP*TP*TP*A)-3', ESTROGEN RECEPTOR, ... | | Authors: | Schwabe, J.W, Chapman, L, Rhodes, D. | | Deposit date: | 2011-11-30 | | Release date: | 2011-12-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation.
Structure, 3, 1995
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2Y64
 | | Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-19 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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2Y6G
 | | Cellopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-21 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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2Y6L
 | | Xylopentaose binding X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
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1A90
 | | RECOMBINANT MUTANT CHICKEN EGG WHITE CYSTATIN, NMR, 31 STRUCTURES | | Descriptor: | CYSTATIN | | Authors: | Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H. | | Deposit date: | 1998-04-14 | | Release date: | 1998-06-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
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1EEH
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | | Deposit date: | 2000-01-31 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
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1HCQ
 | | THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP*CP*CP*T P*G)-3'), DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (ESTROGEN RECEPTOR), ... | | Authors: | Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D. | | Deposit date: | 1995-01-04 | | Release date: | 1995-11-23 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the estrogen receptor DNA-binding domain bound to DNA: how receptors discriminate between their response elements.
Cell(Cambridge,Mass.), 75, 1993
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1H6O
 | | Dimerisation domain from human TRF1 | | Descriptor: | TELOMERIC REPEAT BINDING FACTOR 1 | | Authors: | Fairall, L, Chapman, L, Rhodes, D. | | Deposit date: | 2001-06-20 | | Release date: | 2001-09-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the TRFH dimerization domain of the human telomeric proteins TRF1 and TRF2.
Mol.Cell, 8, 2001
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1Y08
 | | Structure of the Streptococcal Endopeptidase IdeS, a Novel Cysteine Proteinase with Strict Specificity for IgG | | Descriptor: | SULFATE ION, hypothetical protein SPy0861 | | Authors: | Wenig, K, Chatwell, L, von Pawel-Rammingen, U, Bjoerck, L, Huber, R, Sondermann, P. | | Deposit date: | 2004-11-15 | | Release date: | 2004-12-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of the streptococcal endopeptidase IdeS, a cysteine proteinase with strict specificity for IgG
Proc.Natl.Acad.Sci.Usa, 101, 2004
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4N57
 | | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, APH(2'')-Id, MAGNESIUM ION | | Authors: | Kaplan, E, Leban, N, Chaloin, L, Guichou, J.-F, Lionne, C. | | Deposit date: | 2013-10-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
To be Published
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