Author results

2BM2
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HUMAN BETA-II TRYPTASE IN COMPLEX WITH 4-(3-AMINOMETHYL-PHENYL)- PIPERIDIN-1-YL-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
Descriptor:HUMAN BETA2 TRYPTASE, 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
Authors:Maignan, S., Guilloteau, J.-P., Dupuy, A., Levell, J., Astles, P., Eastwood, P., Cairns, J., Houille, O., Aldous, S., Merriman, G., Whiteley, B., Pribish, J., Czekaj, M., Liang, G., Davidson, J., Harrison, T., Morley, A., Watson, S., Fenton, G., Mccarthy, C., Romano, J., Mathew, R., Engers, D., Gardyan, M., Sides, K., Kwong, J., Tsay, J., Rebello, S., Shen, L., Wang, J., Luo, Y., Giardino, O., Lim, H.-K., Smith, K., Pauls, H.
Deposit date:2005-03-09
Release date:2005-03-22
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
2N1E
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MAX1 PEPTIDE FIBRIL
Descriptor:MAX1 peptide
Authors:Nagy-Smith, K., Moore, E., Schneider, J., Tycko, R.
Deposit date:2015-03-30
Release date:2015-07-29
Last modified:2015-08-26
Method:SOLID-STATE NMR
Cite:Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network.
Proc.Natl.Acad.Sci.USA, 112, 2015
2RIA
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CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH D-GLYCERO-D-MANNO-HEPTOSE
Descriptor:Pulmonary surfactant-associated protein D, CALCIUM ION, D-glycero-alpha-D-manno-heptopyranose
Authors:Wang, H., Head, J., Kosma, P., Sheikh, S., McDonald, B., Smith, K., Cafarella, T., Seaton, B., Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIB
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CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH L-GLYCERO-D-MANNO-HEPTOSE
Descriptor:Pulmonary surfactant-associated protein D, CALCIUM ION, L-GLYCERO-D-MANNO-HEPTOPYRANOSE
Authors:Wang, H., Head, J., Kosma, P., Sheikh, S., McDonald, B., Smith, K., Cafarella, T., Seaton, B., Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIC
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CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH L-GLYCERO-D-MANNO-HEPTOPYRANOSYL-(1-3)-L-GLYCERO-D-MANNO-HEPTOPYRANOSE
Descriptor:Pulmonary surfactant-associated protein D, CALCIUM ION, L-GLYCERO-D-MANNO-HEPTOPYRANOSE
Authors:Wang, H., Head, J., Kosma, P., Sheikh, S., McDonald, B., Smith, K., Cafarella, T., Seaton, B., Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RID
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CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH ALLYL 7-O-CARBAMOYL-L-GLYCERO-D-MANNO-HEPTOPYRANOSIDE
Descriptor:Pulmonary surfactant-associated protein D, CALCIUM ION, prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside
Authors:Wang, H., Head, J., Kosma, P., Sheikh, S., McDonald, B., Smith, K., Cafarella, T., Seaton, B., Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2RIE
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CRYSTAL STRUCTURE OF THE TRIMERIC NECK AND CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN SURFACTANT PROTEIN D IN COMPLEX WITH 2-DEOXY-L-GLYCERO-D-MANNO-HEPTOSE
Descriptor:Pulmonary surfactant-associated protein D, CALCIUM ION, (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol
Authors:Wang, H., Head, J., Kosma, P., Sheikh, S., McDonald, B., Smith, K., Cafarella, T., Seaton, B., Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
2VIE
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HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-1-BENZYL-2-HYDROXY-3-((1,1,5- TRIMETHYLHEXYL)AMINO)PROPYL)-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL) BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-11-30
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIY
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HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)- 1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(PENTYLSULFONYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
2VIZ
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HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)- 1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(2-OXO- 1-PYRROLIDINYL)-5-(PROPYLOXY)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
2VJ6
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HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)- 1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-(2-OXO-1-PYRROLIDINYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ7
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HUMAN BACE-1 IN COMPLEX WITH 3-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)PROPYL)-5-(2-OXO-1-PYRROLIDINYL)BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ9
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HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(CYCLOHEXYLAMINO)-2-HYDROXY- 1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-(2-OXO-1-PYRROLIDINYL) BENZAMIDE
Descriptor:BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B., Demont, E., Dingwall, C., Dunsdon, R., Faller, A., Hawkins, J., Hussain, I., MacPherson, D., Maile, G., Matico, R., Milner, P., Mosley, J., Naylor, A., O'Brien, A., Redshaw, S., Riddell, D., Rowland, P., Soleil, V., Smith, K., Stanway, S., Stemp, G., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Ward, J., Wayne, G.
Deposit date:2007-12-07
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
4BS9
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STRUCTURE OF THE HETEROCYCLASE TRUD
Descriptor:TRUD, ZINC ION
Authors:Koehnke, J., Bent, A.F., Zollman, D., Smith, K., Houssen, W.E., Zhu, X., Mann, G., Lebl, T., Scharff, R., Shirran, S., Botting, C.H., Jaspars, M., Schwarz-Linek, U., Naismith, J.H.
Deposit date:2013-06-09
Release date:2013-11-06
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
4PTT
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CRYSTAL STRUCTURE OF ANTI-23F STREP FAB C05
Descriptor:Antibody pn132p2C05, light chain, heavy chain, ...
Authors:Bryson, S., Risnes, L., Damgupta, S., Thomson, C.A., Smith, K., Schrader, J.W., Pai, E.F.
Deposit date:2014-03-11
Release date:2015-03-11
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
4PTU
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CRYSTAL STRUCTURE OF ANTI-23F STREP FAB C05 WITH RHAMNOSE
Descriptor:Antibody pn132p2C05, light chain, heavy chain, ...
Authors:Bryson, S., Risnes, L., Damgupta, S., Thomson, C.A., Smith, K., Schrader, J.W., Pai, E.F.
Deposit date:2014-03-11
Release date:2015-03-04
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
2PR9
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MU2 ADAPTIN SUBUNIT (AP50) OF AP2 ADAPTOR (SECOND DOMAIN), COMPLEXED WITH GABAA RECEPTOR-GAMMA2 SUBUNIT-DERIVED INTERNALIZATION PEPTIDE DEEYGYECL
Descriptor:AP-2 complex subunit mu-1, GABA(A) receptor subunit gamma-2 peptide
Authors:Vahedi-Faridi, A., Haucke, V., Kittler, J.T., Kukhtina, V., Moss, S.J., Saenger, W., Chen, G.-J., Tretter, V., Smith, K., Yan, Z., McAinsh, K., Arancibia-Carcamo, L.
Deposit date:2007-05-04
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Regulation of synaptic inhibition by phospho-dependent binding of the AP2 complex to a YECL motif in the GABAA receptor gamma2 subunit.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1TYP
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SUBSTRATE INTERACTIONS BETWEEN TRYPANOTHIONE REDUCTASE AND N1-GLUTATHIONYLSPERMIDINE DISULPHIDE AT 0.28-NM RESOLUTION
Descriptor:TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bailey, S., Hunter, W.N.
Deposit date:1992-06-29
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate interactions between trypanothione reductase and N1-glutathionylspermidine disulphide at 0.28-nm resolution.
Eur.J.Biochem., 213, 1993
1TYT
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CRYSTAL AND MOLECULAR STRUCTURE OF CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.6 ANGSTROMS RESOLUTION
Descriptor:TRYPANOTHIONE REDUCTASE, OXIDIZED FORM, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Bailey, S., Hunter, W.N.
Deposit date:1993-06-10
Release date:1994-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of trypanothione reductase from Crithidia fasciculata at 2.6 A resolution; enzyme-NADP interactions at 2.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
4FMV
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CRYSTAL STRUCTURE ANALYSIS OF A GH30 ENDOXYLANASE FROM CLOSTRIDIUM PAPYROSOLVENS C71
Descriptor:Glucuronoarabinoxylan endo-1,4-beta-xylanase
Authors:Bales, E.B., Smith, J.K., St John, F.J., Hurlbert, J.C.
Deposit date:2012-06-18
Release date:2013-06-19
Last modified:2015-01-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel member of glycoside hydrolase family 30 subfamily 8 with altered substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
5FC8
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MOUSE IMPORTIN ALPHA: DENGUE 3 NS5 C-TERMINAL NLS PEPTIDE COMPLEX
Descriptor:Nonstructural protein 5, Importin subunit alpha-1
Authors:Smith, K.M., Forwood, J.K.
Deposit date:2015-12-15
Release date:2016-05-18
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
5HHG
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MOUSE IMPORTIN ALPHA: DENGUE 2 NS5 C-TERMINAL NLS PEPTIDE COMPLEX
Descriptor:RNA-directed RNA polymerase NS5, Importin subunit alpha-1
Authors:Smith, K.M., Forwood, J.K.
Deposit date:2016-01-11
Release date:2016-05-18
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production.
PLoS Pathog., 12, 2016
5BVK
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FRAGMENT-BASED DISCOVERY OF POTENT AND SELECTIVE DDR1/2 INHIBITORS
Descriptor:Epithelial discoidin domain-containing receptor 1, IODIDE ION, 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
Authors:Murray, C., Berdini, V., Buck, I., Carr, M., Cleasby, A., Coyle, J., Curry, J., Day, J., Hearn, K., Iqbal, A., Lee, L., Martins, V., Mortenson, P., Munck, J., Page, L., Patel, S., Roomans, S., Kirsten, T., Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVN
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FRAGMENT-BASED DISCOVERY OF POTENT AND SELECTIVE DDR1/2 INHIBITORS
Descriptor:Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C., Berdini, V., Buck, I., Carr, M., Cleasby, A., Coyle, J., Curry, J., Day, J., Hearn, K., Iqbal, A., Lee, L., Martins, V., Mortenson, P., Munck, J., Page, L., Patel, S., Roomans, S., Kirsten, T., Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-12
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVO
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FRAGMENT-BASED DISCOVERY OF POTENT AND SELECTIVE DDR1/2 INHIBITORS
Descriptor:Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C., Berdini, V., Buck, I., Carr, M., Cleasby, A., Coyle, J., Curry, J., Day, J., Hearn, K., Iqbal, A., Lee, L., Martins, V., Mortenson, P., Munck, J., Page, L., Patel, S., Roomans, S., Kirsten, T., Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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