4QYG
 
 | | CHK1 kinase domain in complex with diazacarbazole compound 14 | | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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3DBS
 | | Structure of PI3K gamma in complex with GDC0941 | | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Wiesmann, C, Ultsch, M. | | Deposit date: | 2008-06-02 | | Release date: | 2008-06-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
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1WWB
 | | LIGAND BINDING DOMAIN OF HUMAN TRKB RECEPTOR | | Descriptor: | PROTEIN (Brain Derived Neurotrophic Factor Receptor TrkB) | | Authors: | Wiesmann, C, Ultsch, M.H, Bass, S.H, De Vos, A.M. | | Deposit date: | 1999-05-03 | | Release date: | 1999-07-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
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1WWA
 | | NGF BINDING DOMAIN OF HUMAN TRKA RECEPTOR | | Descriptor: | PROTEIN (NERVE GROWTH FACTOR RECEPTOR TRKA) | | Authors: | Wiesmann, C, Ultsch, M.H, Bass, S.H, De Vos, A.M. | | Deposit date: | 1999-04-29 | | Release date: | 1999-07-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
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2PND
 | | Structure or murine CRIg | | Descriptor: | V-set and immunoglobulin domain containing 4 | | Authors: | Wiesmann, C. | | Deposit date: | 2007-04-24 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A novel inhibitor of the alternative pathway of complement reverses inflammation and bone destruction in experimental arthritis.
J.Exp.Med., 204, 2007
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2QR0
 | | Structure of VEGF complexed to a Fab containing TYR and SER in the CDRs | | Descriptor: | Fab-Fragment Heavy Chain, Fab-Fragment Light Chain, Vascular endothelial growth factor A | | Authors: | Wiesmann, C. | | Deposit date: | 2007-07-27 | | Release date: | 2007-08-14 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | High-throughput generation of synthetic antibodies from highly functional minimalist phage-displayed libraries
J.Mol.Biol., 373, 2007
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3V4O
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3V4L
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3V55
 | | Human MALT1 (334-719) in its ligand free form | | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M, Wiesmann, C. | | Deposit date: | 2011-12-16 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
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2FJH
 | | Structure of the B20-4 Fab, a phage derived Fab fragment, in complex with VEGF | | Descriptor: | Fab fragment heavy chain, Fab fragment light chain, Vascular endothelial growth factor A | | Authors: | Wiesmann, C. | | Deposit date: | 2006-01-02 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab.
J.Biol.Chem., 281, 2006
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2FJF
 | | Structure of the G6 Fab, a phage derived VEGF binding Fab | | Descriptor: | Heavy Chain of a VEGF binding Antibody, Light Chain of a VEGF binding Antibody | | Authors: | Wiesmann, C. | | Deposit date: | 2006-01-02 | | Release date: | 2006-02-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab.
J.Biol.Chem., 281, 2006
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2FJG
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5JMY
 | | NEPRILYSIN COMPLEXED WITH LBQ657 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | | Authors: | Schiering, N, Wiesmann, C. | | Deposit date: | 2016-04-29 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of neprilysin in complex with the active metabolite of sacubitril.
Sci Rep, 6, 2016
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5JOH
 | | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-1b | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-chloro-6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile, COP9 signalosome complex subunit 5, ... | | Authors: | Renatus, M, Wiesmann, C. | | Deposit date: | 2016-05-02 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
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1CZ8
 | | VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH AN AFFINITY MATURED ANTIBODY | | Descriptor: | HEAVY CHAIN OF NEUTRALIZING ANTIBODY, LIGHT CHAIN OF NEUTRALIZING ANTIBODY, SULFATE ION, ... | | Authors: | Chen, Y, Wiesmann, C, Fuh, G, Li, B, Christinger, H.W, McKay, P, de Vos, A.M, Lowman, H.B. | | Deposit date: | 1999-09-01 | | Release date: | 2000-03-20 | | Last modified: | 2017-04-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Selection and analysis of an optimized anti-VEGF antibody: crystal structure of an affinity-matured Fab in complex with antigen.
J.Mol.Biol., 293, 1999
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5JOG
 | | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3 | | Descriptor: | 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION | | Authors: | Renatus, M, Wiesmann, C. | | Deposit date: | 2016-05-02 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
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2AQ5
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2B4E
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6T8W
 | | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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4D9Q
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4D9R
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6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4RVM
 | | CHK1 kinase domain with diazacarbazole compound 19 | | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | | Deposit date: | 2014-11-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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3NZU
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