5ORP
 
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5ORX
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5OS6
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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5OSD
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-17 | | Release date: | 2017-11-01 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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1HT5
 | | THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN METHYL ESTER, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | | Deposit date: | 2000-12-28 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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4UNW
 | | Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4UO7
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 6SO4 Sialyl Lewis X | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4K1P
 | | Structure of the NheA component of the Nhe toxin from Bacillus cereus | | Descriptor: | 1,2-ETHANEDIOL, NheA, SULFATE ION | | Authors: | Ganash, M, Phung, D, Artymiuk, P.J. | | Deposit date: | 2013-04-05 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the NheA Component of the Nhe Toxin from Bacillus cereus: Implications for Function.
Plos One, 8, 2013
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1PRH
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1TN8
 | | Protein Farnesyltransferase Complexed with a H-Ras Peptide Substrate and a FPP Analog at 2.25A Resolution | | Descriptor: | ACETIC ACID, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1TNY
 | | Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a FREKKFFCAIL Peptide Derived from the Heterotrimeric G Protein Gamma-2 Subunit | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | S Reid, T, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1TN7
 | | Protein Farnesyltransferase Complexed with a TC21 Peptide Substrate and a FPP Analog at 2.3A Resolution | | Descriptor: | ACETIC ACID, Fusion protein, Protein farnesyltransferase alpha subunit, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1TN6
 | | Protein Farnesyltransferase Complexed with a Rap2a Peptide Substrate and a FPP Analog at 1.8A Resolution | | Descriptor: | ACETIC ACID, Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity
J.Mol.Biol., 343, 2004
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1TNU
 | | Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a GCINCCKVL Peptide Derived from RhoB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1TNB
 | | Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a substrate KKSKTKCVIF Peptide Derived from TC21 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1TNO
 | | Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a KKKSKTKCVIM Peptide Derived from K-Ras4B | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity.
J.Mol.Biol., 343, 2004
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1NMC
 | | COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | | Authors: | Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M. | | Deposit date: | 1997-12-21 | | Release date: | 1998-09-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
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1SDQ
 | | Structure of reduced-NO adduct of mesopone cytochrome c peroxidase | | Descriptor: | Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER, ... | | Authors: | Bhaskar, B, Immoos, C.E, Sulc, F, Cohem, M.S, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2004-02-13 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structures of resting (Fe3+), reduced (Fe2+) and NO-bound states of mesopone cytochrome c peroxidase (MpCcP) (R-isomer)
To be Published
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1SJE
 | | HLA-DR1 complexed with a 16 residue HIV capsid peptide bound in a hairpin conformation | | Descriptor: | Enterotoxin type C-3, GAG polyprotein, HLA class II histocompatibility antigen, ... | | Authors: | Zavala-Ruiz, Z, Strug, I, Walker, B.D, Norris, P.J, Stern, L.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A hairpin turn in a class II MHC-bound peptide orients residues outside the binding groove for T cell recognition.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1UXL
 | | I113T mutant of human SOD1 | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | | Deposit date: | 2004-02-25 | | Release date: | 2004-03-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004
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1UZW
 | | ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E. | | Deposit date: | 2004-03-17 | | Release date: | 2004-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase
Biochem.J., 382, 2004
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1UYU
 | | Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA | | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ... | | Authors: | Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X. | | Deposit date: | 2004-03-02 | | Release date: | 2005-03-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Survey of Active Site Access Channels in Cytochromes P450
J.Inorg.Biochem., 98, 2004
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1SJH
 | | HLA-DR1 complexed with a 13 residue HIV capsid peptide | | Descriptor: | Enterotoxin type C-3, GAG polyprotein, HLA class II histocompatibility antigen, ... | | Authors: | Zavala-Ruiz, Z, Strug, I, Walker, B.D, Norris, P.J, Stern, L.J. | | Deposit date: | 2004-03-03 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A hairpin turn in a class II MHC-bound peptide orients residues outside the binding groove for T cell recognition.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TC1
 | | A 1.4 ANGSTROM CRYSTAL STRUCTURE FOR THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE OF TRYPANOSOMA CRUZI | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMYCIN B, PROTEIN (HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE) | | Authors: | Focia, P.J, Craig III, S.P, Nieves-Alicea, R, Fletterick, R.J, Eakin, A.E. | | Deposit date: | 1998-09-30 | | Release date: | 1999-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A 1.4 A crystal structure for the hypoxanthine phosphoribosyltransferase of Trypanosoma cruzi.
Biochemistry, 37, 1998
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1W0E
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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