Author results

1A1M
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MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE TPYDINQML FROM GAG PROTEIN OF HIV2
Descriptor:HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, Beta-2-microglobulin, ...
Authors:Smith, K.J., Reid, S.W., Harlos, K., Mcmichael, A.J., Stuart, D.I., Bell, J.I., Jones, E.Y.
Deposit date:1997-12-11
Release date:1998-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53.
Immunity, 4, 1996
1A1N
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MHC CLASS I MOLECULE B*3501 COMPLEXED WITH PEPTIDE VPLRPMTY FROM THE NEF PROTEIN (75-82) OF HIV1
Descriptor:HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, Beta-2-microglobulin, ...
Authors:Smith, K.J., Reid, S.W., Stuart, D.I., Mcmichael, A.J., Jones, E.Y., Bell, J.I.
Deposit date:1997-12-11
Release date:1998-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An altered position of the alpha 2 helix of MHC class I is revealed by the crystal structure of HLA-B*3501.
Immunity, 4, 1996
1A1O
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MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM
Descriptor:HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain, Beta-2-microglobulin, ...
Authors:Smith, K.J., Reid, S.W., Harlos, K., Mcmichael, A.J., Stuart, D.I., Bell, J.I., Jones, E.Y.
Deposit date:1997-12-11
Release date:1998-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bound water structure and polymorphic amino acids act together to allow the binding of different peptides to MHC class I HLA-B53.
Immunity, 4, 1996
1BX2
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CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101,DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN
Descriptor:PROTEIN (HLA-DR2), 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Smith, K.J., Pyrdol, J., Gauthier, L., Wiley, D.C., Wucherpfennig, K.
Deposit date:1998-10-12
Release date:1998-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of HLA-DR2 (DRA*0101, DRB1*1501) complexed with a peptide from human myelin basic protein.
J.Exp.Med., 188, 1998
1LOI
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N-TERMINAL SPLICE REGION OF RAT C-AMP PHOSPHODIESTERASE, NMR, 7 STRUCTURES
Descriptor:CYCLIC 3',5'-AMP SPECIFIC PHOSPHODIESTERASE RD1
Authors:Smith, K.J., Scotland, G., Beattie, J., Trayer, I.P., Houslay, M.D.
Deposit date:1996-05-21
Release date:1997-05-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Determination of the structure of the N-terminal splice region of the cyclic AMP-specific phosphodiesterase RD1 (RNPDE4A1) by 1H NMR and identification of the membrane association domain using chimeric constructs.
J.Biol.Chem., 271, 1996
1VZO
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THE STRUCTURE OF THE N-TERMINAL KINASE DOMAIN OF MSK1 REVEALS A NOVEL AUTOINHIBITORY CONFORMATION FOR A DUAL KINASE PROTEIN
Descriptor:RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, BETA-MERCAPTOETHANOL, SULFATE ION
Authors:Smith, K.J., Carter, P.S., Bridges, A., Horrocks, P., Lewis, C., Pettman, G., Clarke, A., Brown, M., Hughes, J., Wilkinson, M., Bax, B., Reith, A.
Deposit date:2004-05-21
Release date:2004-06-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein
Structure, 12, 2004
2AI7
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S.PNEUMONIAE POLYPEPTIDE DEFORMYLASE COMPLEXED WITH SB-485345
Descriptor:Peptide deformylase, NICKEL (II) ION, SULFATE ION, ...
Authors:Smith, K.J., Petit, C.M., Aubart, K., Smyth, M., McManus, E., Jones, J., Fosberry, A., Lewis, C., Lonetto, M., Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
2AI8
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E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH SB-485343
Descriptor:Peptide deformylase, NICKEL (II) ION, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL
Authors:Smith, K.J., Petit, C.M., Aubart, K., Smyth, M., McManus, E., Jones, J., Fosberry, A., Lewis, C., Lonetto, M., Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AI9
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S.AUREUS POLYPEPTIDE DEFORMYLASE
Descriptor:Peptide deformylase, NICKEL (II) ION, SULFATE ION
Authors:Smith, K.J., Petit, C.M., Aubart, K., Smyth, M., McManus, E., Jones, J., Fosberry, A., Lewis, C., Lonetto, M., Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AIA
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S.PNEUMONIAE PDF COMPLEXED WITH SB-543668
Descriptor:Peptide deformylase, NICKEL (II) ION, SULFATE ION, ...
Authors:Smith, K.J., Petit, C.M., Aubart, K., Smyth, M., McManus, E., Jones, J., Fosberry, A., Lewis, C., Lonetto, M., Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AIE
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S.PNEUMONIAE POLYPEPTIDE DEFORMYLASE COMPLEXED WITH SB-505684
Descriptor:Peptide deformylase, NICKEL (II) ION, SULFATE ION, ...
Authors:Smith, K.J., Petit, C.M., Aubart, K., Smyth, M., McManus, E., Jones, J., Fosberry, A., Lewis, C., Lonetto, M., Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
1E9K
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THE STRUCTURE OF THE RACK1 INTERACTION SITES LOCATED WITHIN THE UNIQUE N-TERMINAL REGION OF THE CAMP-SPECIFIC PHOSPHODIESTERASE, PDE4D5.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Authors:Bolger, G.B., Smith, K.J., McCahill, A., Hyde, E.I., Steele, M.R., Houslay, M.D.
Deposit date:2000-10-20
Release date:2001-10-18
Last modified:2018-06-20
Method:SOLUTION NMR
Cite:1H NMR structural and functional characterisation of a cAMP-specific phosphodiesterase-4D5 (PDE4D5) N-terminal region peptide that disrupts PDE4D5 interaction with the signalling scaffold proteins, beta-arrestin and RACK1.
Cell. Signal., 19, 2007
2XHD
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CRYSTAL STRUCTURE OF N-((2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H- INDEN-2-YL)-2-PROPANESULFONAMIDE IN COMPLEX WITH THE LIGAND BINDING DOMAIN OF THE HUMAN GLUA2 RECEPTOR
Descriptor:GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, SULFATE ION, ...
Authors:Ward, S.E., Harries, M., Aldegheri, L., Andreotti, D., Ballantine, S., Bax, B.D., Harris, A.J., Harker, A.J., Lund, J., Melarange, R., Mingardi, A., Mookherjee, C., Mosley, J., Neve, M., Oliosi, B., Profeta, R., Smith, K.J., Smith, P.W., Spada, S., Thewlis, K.M., Yusaf, S.P.
Deposit date:2010-06-14
Release date:2010-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
3SW8
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STREP PEPTIDE DEFORMYLASE WITH A TIME DEPENDENT DICHLOROBENZAMIDE-REVERSE HYDROXAMIC ACID
Descriptor:Peptide deformylase 3, NICKEL (II) ION, SULFATE ION, ...
Authors:Campobasso, N., Smith, K.J.
Deposit date:2011-07-13
Release date:2011-07-27
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
1AGB
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)
Descriptor:B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION)
Authors:Reid, S.W., Mcadam, S., Smith, K.J., Klenerman, P., O'Callaghan, C.A., Harlos, K., Jakobsen, B.K., Mcmichael, A.J., Bell, J., Stuart, D.I., Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGC
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION)
Descriptor:B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION)
Authors:Reid, S.W., Mcadam, S., Smith, K.J., Klenerman, P., O'Callaghan, C.A., Harlos, K., Jakobsen, B.K., Mcmichael, A.J., Bell, J., Stuart, D.I., Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGD
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE)
Descriptor:B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYKL - INDEX PEPTIDE)
Authors:Reid, S.W., Mcadam, S., Smith, K.J., Klenerman, P., O'Callaghan, C.A., Harlos, K., Jakobsen, B.K., Mcmichael, A.J., Bell, J., Stuart, D.I., Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGE
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION)
Descriptor:B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYRL - 7R MUTATION)
Authors:Reid, S.W., Mcadam, S., Smith, K.J., Klenerman, P., O'Callaghan, C.A., Harlos, K., Jakobsen, B.K., Mcmichael, A.J., Bell, J., Stuart, D.I., Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGF
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ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKRYKL-5R MUTATION)
Descriptor:B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKRYKL - 5R MUTATION)
Authors:Reid, S.W., Mcadam, S., Smith, K.J., Klenerman, P., O'Callaghan, C.A., Harlos, K., Jakobsen, B.K., Mcmichael, A.J., Bell, J., Stuart, D.I., Jones, E.Y.
Deposit date:1997-03-24
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1B0R
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CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP
Descriptor:PROTEIN (HLA-A*0201), PROTEIN (INFLUENZA MATRIX PEPTIDE)
Authors:Bouvier, M., Guo, H., Smith, K.J., Wiley, D.C.
Deposit date:1998-11-12
Release date:1999-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of HLA-A*0201 complexed with antigenic peptides with either the amino- or carboxyl-terminal group substituted by a methyl group.
Proteins, 33, 1998
1BD2
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COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201
Descriptor:HLA-A 0201, BETA-2 MICROGLOBULIN, TAX PEPTIDE, ...
Authors:Ding, Y.-H., Smith, K.J., Garboczi, D.N., Utz, U., Biddison, W.E., Wiley, D.C.
Deposit date:1998-05-12
Release date:1998-08-19
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.
Immunity, 8, 1998
1E3T
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SOLUTION STRUCTURE OF THE NADP(H) BINDING COMPONENT (DIII) OF PROTON-TRANSLOCATING TRANSHYDROGENASE FROM RHODOSPIRILLUM RUBRUM
Descriptor:NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE (SUBUNIT BETA), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jeeves, M., Smith, K.J., Quirk, P.G., Cotton, N.P.J., Jackson, J.B.
Deposit date:2000-06-22
Release date:2000-10-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of the Nadp(H)-Binding Component (Diii) of Proton-Translocating Transhydrogenase from Rhodospirillum Rubrum
Biochim.Biophys.Acta, 1459, 2000
2VIJ
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HUMAN BACE-1 IN COMPLEX WITH 3-(1,1-DIOXIDOTETRAHYDRO-2H-1,2-THIAZIN- 2-YL)-5-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(1,2,3,4- TETRAHYDRO-1-NAPHTHALENYLAMINO)PROPYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Beswick, P., Charrier, N., Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Gleave, R., Hawkins, J., Hussain, I., Johnson, C.N., Macpherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Skidmore, J., Soleil, V., Smith, K.J., Stanway, S., Stemp, G., Stuart, A., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-04
Release date:2008-01-29
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
2VNM
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HUMAN BACE-1 IN COMPLEX WITH 3-(1,1-DIOXIDOTETRAHYDRO-2H-1,2-THIAZIN- 2-YL)-5-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)PROPYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Authors:Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2VNN
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HUMAN BACE-1 IN COMPLEX WITH 7-ETHYL-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)PROPYL)-1- METHYL-3,4-DIHYDRO-1H-(1,2,5)THIADIAZEPINO(3,4,5-HI)INDOLE-9- CARBOXAMIDE 2,2-DIOXIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
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數據於2020-08-05公開中