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PDB: 35 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:2024-04-10
Method:SOLUTION NMR
Cite:Eukaryotic RNA polymerase subunit RPB8 is a new relative of the OB family.
Nat.Struct.Biol., 5, 1998
1QWJ
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The Crystal Structure of Murine CMP-5-N-Acetylneuraminic Acid Synthetase
Descriptor: CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, cytidine monophospho-N-acetylneuraminic acid synthetase
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:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of Murine CMP-5-N-acetylneuraminic Acid Synthetase
J.Mol.Biol., 334, 2003
1H3Y
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Crystal structure of a human IgG1 Fc-fragment,high salt condition
Descriptor: IG GAMMA-1 CHAIN C REGION, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2023-12-13
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
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, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2024-10-23
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: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2024-10-16
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
1H3T
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Crystal structure of the human igg1 fc-fragment,glycoform (mn2f)2
Descriptor: IG GAMMA-1 CHAIN C REGION, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2024-10-09
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, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2023-12-13
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
1H3X
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CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G0F)2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-11-20
Last modified:2023-12-13
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
6Y9S
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Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
Descriptor: ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
Authors:Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
Deposit date:2020-03-10
Release date:2020-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6Y9R
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Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
Descriptor: ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
Deposit date:2020-03-10
Release date:2020-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
4NMH
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11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one
Descriptor: (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, 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
Last modified:2024-02-28
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
5LVX
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Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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:2024-10-23
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
7B1O
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Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
Descriptor: 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M.
Deposit date:2020-11-25
Release date:2021-09-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
3HHA
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Crystal structure of cathepsin L in complex with AZ12878478
Descriptor: ACETATE ION, Cathepsin L1, GLYCEROL, ...
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:2024-10-16
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
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:2024-05-08
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
4DMX
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Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, 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:2024-10-30
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: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, 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 (1.63 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
4EAW
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HCV NS5B in complex with IDX375
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, 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, ...
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:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:HCV NS5B in complex with IDX375
To be Published
8BYU
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Crystal Structure of HexaBody-CD38 Fab in complex with CD38
Descriptor: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab Heavy Chain, ...
Authors:Freier, R, Krapp, S, Hibbert, R.G.
Deposit date:2022-12-14
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Preclinical anti-tumour activity of HexaBody-CD38, a next-generation CD38 antibody with superior complement-dependent cytotoxic activity.
Ebiomedicine, 93, 2023
6HX1
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IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2
Descriptor: 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Augustin, M.A, Krapp, S, Bayliss, R, Collins, I.
Deposit date:2018-10-15
Release date:2019-02-27
Last modified:2024-01-24
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
7P3I
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Crystal structure of human CD40/TNFRSF5 in complex with the anti-CD40 DARPin protein
Descriptor: Darpin, SODIUM ION, Tumor necrosis factor receptor superfamily member 5
Authors:Malvezzi, F, Mangold, S, Hospodarsch, T, Reichen, C, Iss, C, Lammens, A, Krapp, S, Domke, C.
Deposit date:2021-07-07
Release date:2022-04-06
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Multispecific Anti-CD40 DARPin Construct Induces Tumor-Selective CD40 Activation and Tumor Regression.
Cancer Immunol Res, 10, 2022
7OXL
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Crystal structure of human Spermine Oxidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ...
Authors:Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S.
Deposit date:2021-06-22
Release date:2022-07-13
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
7OY0
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Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor
Descriptor: 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ...
Authors:Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S.
Deposit date:2021-06-23
Release date:2022-07-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
6S41
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CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
Descriptor: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Focken, T, Maskos, K, Griessner, A, Krapp, S.
Deposit date:2019-06-26
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
6VN2
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USP7 IN COMPLEX WITH LIGAND COMPOUND 18
Descriptor: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020

 

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