Author results

1A1D
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YEAST RNA POLYMERASE SUBUNIT RPB8, NMR, MINIMIZED AVERAGE STRUCTURE, ALPHA CARBONS ONLY
Descriptor:RNA POLYMERASE
Authors:Krapp, S., Kelly, G., Reischl, J., Weinzierl, R., Matthews, S.
Deposit date:1997-12-10
Release date:1999-03-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Eukaryotic RNA polymerase subunit RPB8 is a new relative of the OB family.
Nat.Struct.Biol., 5, 1998
1H3T
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CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (MN2F)2
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
1H3U
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CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (M3N2F)2
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity.
J.Mol.Biol., 325, 2003
1H3V
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CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G2F)2,SG P212121
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
1H3W
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STRUCTURAL ANALYSIS OF HUMAN IGG-FC GLYCOFORMS REVEALS A CORRELATION BETWEEN GLYCOSYLATION AND STRUCTURAL INTEGRITY
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
1H3X
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CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G0F)2
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-11-20
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
1H3Y
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CRYSTAL STRUCTURE OF A HUMAN IGG1 FC-FRAGMENT,HIGH SALT CONDITION
Descriptor:IG GAMMA-1 CHAIN C REGION, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Krapp, S., Mimura, Y., Jefferis, R., Huber, R., Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity.
J.Mol.Biol., 325, 2003
1QWJ
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THE CRYSTAL STRUCTURE OF MURINE CMP-5-N-ACETYLNEURAMINIC ACID SYNTHETASE
Descriptor:cytidine monophospho-N-acetylneuraminic acid synthetase, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
Authors:Krapp, S., Muenster-Kuehnel, A.K., Kaiser, J.T., Huber, R., Tiralongo, J., Gerardy-Schahn, R., Jacob, U.
Deposit date:2003-09-02
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of Murine CMP-5-N-acetylneuraminic Acid Synthetase
J.Mol.Biol., 334, 2003
3HHA
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CRYSTAL STRUCTURE OF CATHEPSIN L IN COMPLEX WITH AZ12878478
Descriptor:Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide, TETRAETHYLENE GLYCOL, ...
Authors:Asaad, N., Bethel, P.A., Coulson, M.D., Dawson, J., Ford, S.J., Gerhardt, S., Grist, M., Hamlin, G.A., James, M.J., Jones, E.V., Karoutchi, G.I., Kenny, P.W., Morley, A.D., Oldham, K., Rankine, N., Ryan, D., Wells, S.L., Wood, L., Augustin, M., Krapp, S., Simader, H., Steinbacher, S.
Deposit date:2009-05-15
Release date:2009-06-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
4DMX
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CATHEPSIN K INHIBITOR
Descriptor:Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, GLYCEROL
Authors:Dossetter, A.G., Beeley, H., Bowyer, J., Cook, C.R., Crawford, J.J., Finlayson, J.E., Heron, N.M., Heyes, C., Highton, A.J., Hudson, J.A., Kenny, P.W., Martin, S., MacFaul, P.A., McGuire, T.M., Gutierrez, P.M., Morley, A.D., Morris, J.J., Page, K.M., Rosenbrier Ribeiro, L., Sawney, H., Steinbacher, S., Krapp, S., Jestel, A., Smith, C., Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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CATHEPSIN K INHIBITOR
Descriptor:Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, SULFATE ION, ...
Authors:Dossetter, A.G., Beeley, H., Bowyer, J., Cook, C.R., Crawford, J.J., Finlayson, J.E., Heron, N.M., Heyes, C., Highton, A.J., Hudson, J.A., Kenny, P.W., Martin, S., MacFaul, P.A., McGuire, T.M., Gutierrez, P.M., Morley, A.D., Morris, J.J., Page, K.M., Rosenbrier Ribeiro, L., Sawney, H., Steinbacher, S., Krapp, S., Jestel, A., Smith, C., Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4NMH
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11-BETA-HSD1 IN COMPLEX WITH A 3,3-DI-METHYL-AZETIDIN-2-ONE
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McCoull, W., Augustin, M., Blake, C., Ertan, A., Kilgour, E.K., Krapp, S., Moore, J.E., Newcombe, N.J., Packer, M.J., Rees, A., Revill, J., Scott, J.S., Selmi, N., Gerhardt, S., Ogg, D.J., Steinbacher, S., Whittamore, P.R.O.
Deposit date:2013-11-15
Release date:2014-03-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
4EAW
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HCV NS5B IN COMPLEX WITH IDX375
Descriptor:RNA-directed RNA polymerase, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, SULFATE ION, ...
Authors:Dousson, C.B., Paparin, J.-L., Surleraux, D., Augustin, M., Blaesse, M., Hoeppner, S., Krapp, S., Wenzkowski, C.
Deposit date:2012-03-22
Release date:2013-03-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:HCV NS5B in complex with IDX375
To be Published
5LVX
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CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE WITH AN INHIBITORY QUINAZOLINE MODULATOR
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Zheng, J., Chen, L., Skinner, O.S., Lansbury, P., Skerlj, R., Mrosek, M., Heunisch, U., Krapp, S., Weigand, S., Charrow, J., Schwake, M., Kelleher, N.L., Silverman, R.B., Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
4WOT
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ROCK2 IN COMPLEX WITH 1426382-07-1
Descriptor:Rho-associated protein kinase 2, methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
Authors:Augustin, M., Krapp, S., Boland, S., Defert, O., Bourin, A., Alen, J., Leysen, D.
Deposit date:2014-10-16
Release date:2015-05-06
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.
J. Med. Chem., 58, 2015
3HWN
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CATHEPSIN L WITH AZ13010160
Descriptor:Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
Authors:Kenny, P., Morley, A.
Deposit date:2009-06-18
Release date:2009-09-15
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Design of selective Cathepsin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
1GQF
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CRYSTAL STRUCTURE OF HUMAN PROCASPASE-7
Descriptor:Caspase-7, SULFATE ION
Authors:Riedl, S., Bode, W., Fuentes-Prior, P.
Deposit date:2001-11-23
Release date:2002-01-04
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the activation of human procaspase-7.
Proc. Natl. Acad. Sci. U.S.A., 98, 2001
3SOR
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FACTOR XIA IN COMPLEX WITH A CLOROPHENYL-TETRAZOLE INHIBITOR
Descriptor:Coagulation factor XI, CITRIC ACID, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid
Authors:Kazemier, B., Oubrie, A.
Deposit date:2011-06-30
Release date:2012-04-11
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
3SOS
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BENZOTHIAZINONE INHIBITOR IN COMPLEX WITH FXIA
Descriptor:Coagulation factor XI, CITRIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Fradera, X., Kazemier, B., Oubrie, A.
Deposit date:2011-06-30
Release date:2012-04-11
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
4DFL
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH A SULFONAMIDOPYRAZINE PIPERIDINE INHIBITOR
Descriptor:Tyrosine-protein kinase SYK, 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide, ethane-1,2-diol, ...
Authors:Lopez, M., Segarra, V., Vidal, B., Wenzkowski, C., Jestel, A., Krapp, S., Blaesse, M., Nagel, S., Schreiner, P.
Deposit date:2012-01-24
Release date:2012-04-25
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DFN
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH AN ADAMANTYLPYRAZINE INHIBITOR
Descriptor:Tyrosine-protein kinase SYK, 3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide
Authors:Lopez, M., Segarra, V., Vidal, B., Wenzkowski, C., Jestel, A., Krapp, S., Blaesse, M., Nagel, S., Schreiner, P.
Deposit date:2012-01-24
Release date:2012-04-25
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4F4P
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SYK IN COMPLEX WITH LIGAND LASW836
Descriptor:Tyrosine-protein kinase SYK, N-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine, SULFATE ION
Authors:Lopez, M., Segarra, V., Vidal, B., Wenzkowski, C., Jestel, A., Krapp, S., Blaesse, M., Nagel, S., Schreiner, P.
Deposit date:2012-05-11
Release date:2012-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Highly potent aminopyridines as Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6HX1
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IRE1 ALPHA IN COMPLEX WITH IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE COMPOUND 2
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Authors:Augustin, M.A., Krapp, S., Bayliss, R., Collins, I.
Deposit date:2018-10-15
Release date:2019-02-27
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
2OEF
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OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR
Descriptor:UTP-glucose-1-phosphate uridylyltransferase 2, putative, SULFATE ION
Authors:Steiner, T.
Deposit date:2006-12-29
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Open and Closed Structures of the UDP-glucose Pyrophosphorylase from Leishmania major.
J.Biol.Chem., 282, 2007
2OEG
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OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR
Descriptor:UTP-glucose-1-phosphate uridylyltransferase 2, putative, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Steiner, T.
Deposit date:2006-12-29
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open and Closed Structures of the UDP-glucose Pyrophosphorylase from Leishmania major.
J.Biol.Chem., 282, 2007
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