1HZU
 
 | | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRITE REDUCTASE | | Authors: | Brown, K, Cutruzzola, F, Brunori, M, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-01-26 | | Release date: | 2001-09-26 | | Last modified: | 2024-11-20 | | 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
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1HZV
 | | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRIC OXIDE, ... | | Authors: | Brown, K, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-01-26 | | Release date: | 2001-09-26 | | Last modified: | 2024-11-06 | | 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
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2EVA
 | | Structural Basis for the Interaction of TAK1 Kinase with its Activating Protein TAB1 | | Descriptor: | ADENOSINE, TAK1 kinase - TAB1 chimera fusion protein | | 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: | 2024-02-14 | | 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
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1HZ0
 | | NMR STRUCTURE OF THE 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP) C8-DEOXYGUANOSINE ADDUCT IN DUPLEX DNA | | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, 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') | | Authors: | Brown, K, Cosman, M. | | Deposit date: | 2001-01-23 | | Release date: | 2001-08-08 | | Last modified: | 2024-05-22 | | 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
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1QNI
 | | Crystal Structure of Nitrous Oxide Reductase from Pseudomonas nautica, at 2.4A Resolution | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Brown, K, Tegoni, M, Cambillau, C. | | Deposit date: | 1999-10-15 | | Release date: | 2000-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel type of catalytic copper cluster in nitrous oxide reductase.
Nat.Struct.Biol., 7, 2000
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1FWX
 | | CRYSTAL STRUCTURE OF NITROUS OXIDE REDUCTASE FROM P. DENITRIFICANS | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE 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: | 2023-08-09 | | 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
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1SNU
 | | CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN | | Descriptor: | STAUROSPORINE, 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: | 2023-08-23 | | 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
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1SM2
 | | Crystal structure of the phosphorylated Interleukin-2 tyrosine kinase catalytic domain | | Descriptor: | STAUROSPORINE, Tyrosine-protein kinase ITK/TSK | | 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: | 2024-02-14 | | 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
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1SNX
 | | 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: | 2024-04-03 | | 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
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5CCP
 | | 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: | 2024-03-06 | | 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
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1CNO
 | | STRUCTURE OF PSEUDOMONAS NAUTICA CYTOCHROME C552, BY MAD METHOD | | Descriptor: | CYTOCHROME C552, GLYCEROL, HEME C | | Authors: | Brown, K, Nurizzo, D, Cambillau, C. | | Deposit date: | 1998-08-03 | | Release date: | 1999-07-22 | | Last modified: | 2024-10-30 | | 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
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4B6L
 | | Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design | | Descriptor: | 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, SERINE/THREONINE-PROTEIN KINASE PLK3, 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 | | Last modified: | 2024-05-08 | | 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
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1FWY
 | | CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE BOUND TO UDP-GLCNAC | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE, ... | | 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: | 2024-10-16 | | 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
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1FXJ
 | | CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | | 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: | 2024-10-09 | | 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
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4DA5
 | | Choline Kinase alpha acts through a double-displacement kinetic mechanism involving enzyme isomerisation, as determined through enzyme and inhibitor kinetics and structural biology | | Descriptor: | (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol, Choline kinase alpha, SULFATE ION | | Authors: | Brown, K, Hudson, C, Charlton, P, Pollard, J. | | Deposit date: | 2012-01-12 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Kinetic and mechanistic characterisation of Choline Kinase-alpha.
Biochim.Biophys.Acta, 1834, 2013
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3QGY
 | | Crystal structure of ITK inhibitor complex | | Descriptor: | 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, Tyrosine-protein kinase ITK/TSK | | Authors: | Brown, K, Cheetham, G.M.T. | | Deposit date: | 2011-01-25 | | Release date: | 2011-06-22 | | Last modified: | 2024-03-20 | | 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
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3S2U
 | | 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: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa MurG: UDP-GlcNAc Substrate Complex.
Protein Pept.Lett., 20, 2013
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3QGW
 | | Crystal Structure of ITK kinase bound to an inhibitor | | Descriptor: | 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Brown, K, Cheetham, G.M.T. | | Deposit date: | 2011-01-25 | | Release date: | 2011-06-22 | | Last modified: | 2024-03-20 | | 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
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1QD0
 | | CAMELID HEAVY CHAIN VARIABLE DOMAINS PROVIDE EFFICIENT COMBINING SITES TO HAPTENS | | Descriptor: | 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, COPPER (II) ION, VHH-R2 ANTI-RR6 ANTIBODY | | 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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Camelid heavy-chain variable domains provide efficient combining sites to haptens.
Biochemistry, 39, 2000
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7NBV
 | | Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV) | | Descriptor: | BROMIDE ION, Capsid protein VP0 | | Authors: | Hill, C.H, Cook, G.M, Napthine, S, Kibe, A, Brown, K, Caliskan, N, Firth, A.E, Graham, S.C, Brierley, I. | | Deposit date: | 2021-01-28 | | Release date: | 2021-12-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus.
Nucleic Acids Res., 49, 2021
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1E5P
 | | 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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of aphrodisin, a sex pheromone from female hamster.
J.Mol.Biol., 305, 2001
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1CRZ
 | | 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: | 2024-10-09 | | 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
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1GJQ
 | | Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex | | Descriptor: | CYANIDE ION, 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: | 2024-11-20 | | 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
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4QC8
 | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of an enteric pathogen, bovine parvovirus.
J.Virol., 89, 2015
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5UZK
 | | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | | Descriptor: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Jacobs, M.D, Brown, K. | | Deposit date: | 2017-02-26 | | Release date: | 2018-03-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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