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1FWX
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CRYSTAL STRUCTURE OF NITROUS OXIDE REDUCTASE FROM P. DENITRIFICANS
Descriptor:NITROUS OXIDE REDUCTASE, CHLORIDE ION, CALCIUM ION, ...
Authors:Brown, K., Djinovic-Carugo, K., Haltia, T., Cabrito, I., Saraste, M., Moura, J.J., Moura, I., Tegoni, M., Cambillau, C.
Deposit date:2000-09-25
Release date:2001-09-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Revisiting the Catalytic CuZ Cluster of Nitrous Oxide (N2O) Reductase. Evidence of a Bridging Inorganic Sulfur
J.Biol.Chem., 275, 2000
1HZU
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DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA
Descriptor:NITRITE REDUCTASE, HEME C, HEME D
Authors:Brown, K., Cutruzzola, F., Brunori, M., Tegoni, M., Cambillau, C.
Deposit date:2001-01-26
Release date:2001-09-26
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
1HZV
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DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA
Descriptor:NITRITE REDUCTASE, HEME C, HEME D, ...
Authors:Brown, K., Tegoni, M., Cambillau, C.
Deposit date:2001-01-26
Release date:2001-09-26
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
1CNO
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STRUCTURE OF PSEUDOMONAS NAUTICA CYTOCHROME C552, BY MAD METHOD
Descriptor:CYTOCHROME C552, HEME C, GLYCEROL
Authors:Brown, K., Nurizzo, D., Cambillau, C.
Deposit date:1998-08-03
Release date:1999-07-22
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:MAD structure of Pseudomonas nautica dimeric cytochrome c552 mimicks the c4 Dihemic cytochrome domain association.
J.Mol.Biol., 289, 1999
1FWY
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE BOUND TO UDP-GLCNAC
Descriptor:UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, SULFATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, ...
Authors:Brown, K., Pompeo, F., Dixon, S., Mengin-Lecreulx, D., Cambillau, C., Bourne, Y.
Deposit date:2000-09-25
Release date:2000-10-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the bifunctional N-acetylglucosamine 1-phosphate uridyltransferase from Escherichia coli: a paradigm for the related pyrophosphorylase superfamily.
EMBO J., 18, 1999
1FXJ
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE
Descriptor:UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, SULFATE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Brown, K., Pompeo, F., Dixon, S., Mengin-Lecreulx, D., Cambillau, C., Bourne, Y.
Deposit date:2000-09-26
Release date:2000-10-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the bifunctional N-acetylglucosamine 1-phosphate uridyltransferase from Escherichia coli: a paradigm for the related pyrophosphorylase superfamily.
EMBO J., 18, 1999
1HZ0
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NMR STRUCTURE OF THE 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP) C8-DEOXYGUANOSINE ADDUCT IN DUPLEX DNA
Descriptor:DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'), 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
Authors:Brown, K., Cosman, M.
Deposit date:2001-01-23
Release date:2001-08-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the 2-amino-1- methyl-6-phenylimidazo[4,5-b]pyridine C8-deoxyguanosine adduct in duplex DNA.
Proc.Natl.Acad.Sci.USA, 98, 2001
1QNI
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CRYSTAL STRUCTURE OF NITROUS OXIDE REDUCTASE FROM PSEUDOMONAS NAUTICA, AT 2.4A RESOLUTION
Descriptor:NITROUS-OXIDE REDUCTASE, DINUCLEAR COPPER ION, (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, ...
Authors:Brown, K., Tegoni, M., Cambillau, C.
Deposit date:1999-10-15
Release date:2000-10-13
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel type of catalytic copper cluster in nitrous oxide reductase.
Nat.Struct.Biol., 7, 2000
1SM2
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CRYSTAL STRUCTURE OF THE PHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN
Descriptor:Tyrosine-protein kinase ITK/TSK, STAUROSPORINE
Authors:Brown, K., Long, J.M., Vial, S.C.M., Dedi, N., Dunster, N.J., Renwick, S.B., Tanner, A.J., Frantz, J.D., Fleming, M.A., Cheetham, G.M.T.
Deposit date:2004-03-08
Release date:2004-07-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.
J.Biol.Chem., 279, 2004
1SNU
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CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN
Descriptor:Tyrosine-protein kinase ITK/TSK, STAUROSPORINE
Authors:Brown, K., Long, J.M., Vial, S.C., Dedi, N., Dunster, N.J., Renwick, S.B., Tanner, A.J., Frantz, J.D., Fleming, M.A., Cheetham, G.M.T.
Deposit date:2004-03-12
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.
J.Biol.Chem., 279, 2004
1SNX
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CRYSTAL STRUCTURE OF APO INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN
Descriptor:Tyrosine-protein kinase ITK/TSK
Authors:Brown, K., Long, J.M., Vial, S.C., Dedi, N., Dunster, N.J., Renwick, S.B., Tanner, A.J., Frantz, J.D., Fleming, M.A., Cheetham, G.M.T.
Deposit date:2004-03-12
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.
J.Biol.Chem., 279, 2004
2EVA
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STRUCTURAL BASIS FOR THE INTERACTION OF TAK1 KINASE WITH ITS ACTIVATING PROTEIN TAB1
Descriptor:TAK1 kinase - TAB1 chimera fusion protein, ADENOSINE
Authors:Brown, K., Vial, S.C., Dedi, N., Long, J.M., Dunster, N.J., Cheetham, G.M.
Deposit date:2005-10-31
Release date:2006-05-02
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the interaction of TAK1 kinase with its activating protein TAB1
J.Mol.Biol., 354, 2005
3S2U
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CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA MURG:UDP-GLCNAC SUBSTRATE COMPLEX
Descriptor:UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Brown, K., Vial, S.C.M., Dedi, N., Westcott, J., Scally, S., Bugg, T.D.H., Charlton, P.A., Cheetham, G.M.T.
Deposit date:2011-05-17
Release date:2012-09-26
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of the Pseudomonas aeruginosa MurG: UDP-GlcNAc Substrate Complex.
Protein Pept.Lett., 20, 2013
4B6L
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DISCOVERY OF ORAL POLO-LIKE KINASE (PLK) INHIBITORS WITH ENHANCED SELECTIVITY PROFILE USING RESIDUE TARGETED DRUG DESIGN
Descriptor:SERINE/THREONINE-PROTEIN KINASE PLK3, 4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide, SULFATE ION
Authors:Brown, K., Charrier, J.D., Durrant, S., Griffiths, M., Hudson, C., Kay, D., Knegtel, R., ODonnell, M., Pierard, F., Twin, H., Weber, P., Young, S.
Deposit date:2012-08-14
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Oral Polo-Like Kinase (Plk) Inhibitors with Enhanced Selectivity Profile Using Residue Targeted Drug Design
To be Published
3QGW
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CRYSTAL STRUCTURE OF ITK KINASE BOUND TO AN INHIBITOR
Descriptor:Tyrosine-protein kinase ITK/TSK, 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
Authors:Brown, K., Cheetham, G.M.T.
Deposit date:2011-01-25
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors
J.Med.Chem., 54, 2011
3QGY
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CRYSTAL STRUCTURE OF ITK INHIBITOR COMPLEX
Descriptor:Tyrosine-protein kinase ITK/TSK, 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
Authors:Brown, K., Cheetham, G.M.T.
Deposit date:2011-01-25
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors
J.Med.Chem., 54, 2011
4DA5
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CHOLINE KINASE ALPHA ACTS THROUGH A DOUBLE-DISPLACEMENT KINETIC MECHANISM INVOLVING ENZYME ISOMERISATION, AS DETERMINED THROUGH ENZYME AND INHIBITOR KINETICS AND STRUCTURAL BIOLOGY
Descriptor:Choline kinase alpha, SULFATE ION, (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
Authors:Brown, K., Hudson, C., Charlton, P., Pollard, J.
Deposit date:2012-01-12
Release date:2013-04-17
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and mechanistic characterisation of Choline Kinase-alpha.
Biochim.Biophys.Acta, 1834, 2013
1CRZ
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CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN
Descriptor:TOLB PROTEIN
Authors:Abergel, C., Bouveret, E., Claverie, J.-M., Brown, K., Rigal, A., Lazdunski, C., Benedetti, H.
Deposit date:1999-08-16
Release date:2000-08-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the Escherichia coli TolB protein determined by MAD methods at 1.95 A resolution.
Structure Fold.Des., 7, 1999
1E5P
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CRYSTAL STRUCTURE OF APHRODISIN, A SEX PHEROMONE FROM FEMALE HAMSTER
Descriptor:APHRODISIN
Authors:Vincent, F., Brown, K., Spinelli, S., Cambillau, C., Tegoni, M.
Deposit date:2000-07-28
Release date:2001-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of Aphrodisin, a Sex Pheromone from Female Hamster
J.Mol.Biol., 305, 2001
1GJQ
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PSEUDOMONAS AERUGINOSA CD1 NITRITE REDUCTASE REDUCED CYANIDE COMPLEX
Descriptor:NITRITE REDUCTASE, HEME C, HEME D, ...
Authors:Nurizzo, D., Brown, K., Tegoni, M., Cambillau, C.
Deposit date:2001-08-01
Release date:2002-08-01
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyanide Binding to Cd(1) Nitrite Reductase from Pseudomonas Aeruginosa: Role of the Active-Site His369 in Ligand Stabilization.
Biochem.Biophys.Res.Commun., 291, 2002
1QD0
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CAMELID HEAVY CHAIN VARIABLE DOMAINS PROVIDE EFFICIENT COMBINING SITES TO HAPTENS
Descriptor:VHH-R2 ANTI-RR6 ANTIBODY, COPPER (II) ION, 3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID
Authors:Spinelli, S., Frenken, L.G.J., Hermans, P., Verrips, T., Brown, K., Tegoni, M., Cambillau, C.
Deposit date:1999-07-08
Release date:2000-07-19
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Camelid heavy-chain variable domains provide efficient combining sites to haptens.
Biochemistry, 39, 2000
4QC8
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STRUCTURAL ANNOTATION OF PATHOGENIC BOVINE PARVOVIRUS-1
Descriptor:VP2
Authors:Kailasan, S., Halder, S., Gurda, B.L., Bladek, H., Chipman, P.R., McKenna, R., Brown, K., Agbandje-McKenna, M.
Deposit date:2014-05-09
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of an enteric pathogen, bovine parvovirus.
J.Virol., 89, 2015
5CCP
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HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I
Descriptor:CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brown, K., Shaw, A., Miller, M.A., Kraut, J.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
5URF
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THE STRUCTURE OF HUMAN BOCAVIRUS 1
Descriptor:viral protein 3
Authors:Mietzsch, M., Kailasan, S., Garrison, J., Ilyas, M., Chipman, P., Kandola, K., Jansen, M., Spear, J., Sousa, D., McKenna, R., Soderlund-Venermo, M., Baker, T., Agbandje-McKenna, M.
Deposit date:2017-02-10
Release date:2017-03-29
Last modified:2017-05-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
3EII
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ZINC-BOUND GLYCOSIDE HYDROLASE 61 E FROM THIELAVIA TERRESTRIS
Descriptor:protein GH61E, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Salbo, R., Welner, D., Lo Leggio, L., Harris, P., McFarland, K.
Deposit date:2008-09-16
Release date:2009-10-27
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
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