3KJN
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![BU of 3kjn by Molmil](/molmil-images/mine/3kjn) | Caspase 8 bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJQ
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![BU of 3kjq by Molmil](/molmil-images/mine/3kjq) | Caspase 8 with covalent inhibitor | Descriptor: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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1LMH
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![BU of 1lmh by Molmil](/molmil-images/mine/1lmh) | |
3CCZ
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![BU of 3ccz by Molmil](/molmil-images/mine/3ccz) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CD5
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![BU of 3cd5 by Molmil](/molmil-images/mine/3cd5) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CDA
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![BU of 3cda by Molmil](/molmil-images/mine/3cda) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CCW
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![BU of 3ccw by Molmil](/molmil-images/mine/3ccw) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CD0
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![BU of 3cd0 by Molmil](/molmil-images/mine/3cd0) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CD7
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![BU of 3cd7 by Molmil](/molmil-images/mine/3cd7) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CDB
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![BU of 3cdb by Molmil](/molmil-images/mine/3cdb) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CCT
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![BU of 3cct by Molmil](/molmil-images/mine/3cct) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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1HSK
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![BU of 1hsk by Molmil](/molmil-images/mine/1hsk) | CRYSTAL STRUCTURE OF S. AUREUS MURB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE | Authors: | Benson, T.E, Harris, M.S, Choi, G.H, Cialdella, J.I, Herberg, J.T, Martin Jr, J.P, Baldwin, E.T. | Deposit date: | 2000-12-27 | Release date: | 2001-03-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structural variation for MurB: X-ray crystal structure of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB). Biochemistry, 40, 2001
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4TYH
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![BU of 4tyh by Molmil](/molmil-images/mine/4tyh) | Ternary complex of P38 and MK2 with a P38 inhibitor | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | Authors: | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | Deposit date: | 2014-07-08 | Release date: | 2015-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors To Be Published
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5AD0
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![BU of 5ad0 by Molmil](/molmil-images/mine/5ad0) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 11MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 11MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Kaufman, J.F, Lea, S.M. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Complex of a B21 Chicken Mhc Class I Molecule and a 11mer Chicken Peptide To be Published
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2YEZ
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![BU of 2yez by Molmil](/molmil-images/mine/2yez) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 14-3-3 PROTEIN THETA, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21 | Authors: | Chappell, P, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2011-03-31 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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5ACZ
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![BU of 5acz by Molmil](/molmil-images/mine/5acz) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 11MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 11MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Kaufman, J.F, Lea, S.M. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Complex of a B21 Chicken Mhc Class I Molecule and a 11mer Chicken Peptide To be Published
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4D0D
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![BU of 4d0d by Molmil](/molmil-images/mine/4d0d) | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B2, SLP-76 ADAPTOR PROTEIN | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0C
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![BU of 4d0c by Molmil](/molmil-images/mine/4d0c) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4CW1
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![BU of 4cw1 by Molmil](/molmil-images/mine/4cw1) | COMPLEX OF A B14 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B14, PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4CVZ
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![BU of 4cvz by Molmil](/molmil-images/mine/4cvz) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4CVX
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![BU of 4cvx by Molmil](/molmil-images/mine/4cvx) | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS I ALPHA CHAIN 2, SELF-PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0B
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![BU of 4d0b by Molmil](/molmil-images/mine/4d0b) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS I ANTIGEN, PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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1X9R
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![BU of 1x9r by Molmil](/molmil-images/mine/1x9r) | Umecyanin from Horse Raddish- Crystal Structure of the oxidised form | Descriptor: | COPPER (II) ION, Umecyanin | Authors: | Koch, M, Velarde, M, Harrison, M.D, Echt, S, Fischer, M, Messerschmidt, A, Dennison, C. | Deposit date: | 2004-08-24 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Oxidized and Reduced Stellacyanin from Horseradish Roots J.Am.Chem.Soc., 127, 2005
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1X9U
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![BU of 1x9u by Molmil](/molmil-images/mine/1x9u) | Umecyanin from Horse Raddish- Crystal Structure of the reduced form | Descriptor: | COPPER (II) ION, Umecyanin | Authors: | Koch, M, Velarde, M, Harrison, M.D, Echt, S, Fischer, M, Messerschmidt, A, Dennison, C. | Deposit date: | 2004-08-24 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Oxidized and Reduced Stellacyanin from Horseradish Roots J.Am.Chem.Soc., 127, 2005
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1CV9
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![BU of 1cv9 by Molmil](/molmil-images/mine/1cv9) | NMR STUDY OF ITAM PEPTIDE SUBSTRATE | Descriptor: | IG-ALPHA ITAM PEPTIDE | Authors: | Gaul, B.S, Harrison, M.L, Geahlen, R.L, Post, C.B. | Deposit date: | 1999-08-23 | Release date: | 1999-08-31 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Substrate recognition by the Lyn protein-tyrosine kinase. NMR structure of the immunoreceptor tyrosine-based activation motif signaling region of the B cell antigen receptor. J.Biol.Chem., 275, 2000
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