4PPC
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4PPB
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4PPA
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4Q7Z
| Neutrophil serine protease 4 (PRSS57) with phe-phe-arg-chloromethylketone (FFR-cmk) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | Deposit date: | 2014-04-25 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4EDW
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4HS6
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4HS8
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4I77
| Lebrikizumab Fab bound to IL-13 | Descriptor: | Interleukin-13, Lebrikizumab heavy chain, Lebrikizumab light chain | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-11-30 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Signaling Blockade by Anti-IL-13 Antibody Lebrikizumab. J.Mol.Biol., 425, 2013
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4JNK
| Lactate Dehydrogenase A in complex with inhibitor compound 22 | Descriptor: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-03-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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6XLO
| Crystal structure of bRaf in complex with inhibitor | Descriptor: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Yin, J, Eigenbrot, C, Wang, W. | Deposit date: | 2020-06-28 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J.Med.Chem., 64, 2021
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1AAP
| X-RAY CRYSTAL STRUCTURE OF THE PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR | Descriptor: | ALZHEIMER'S DISEASE AMYLOID A4 PROTEIN | Authors: | Hynes, T.R, Randal, M, Kennedy, L.A, Eigenbrot, C, Kossiakoff, A.A. | Deposit date: | 1990-09-14 | Release date: | 1991-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystal structure of the protease inhibitor domain of Alzheimer's amyloid beta-protein precursor. Biochemistry, 29, 1990
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4ZVV
| Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | Descriptor: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, Y, Chen, Z, Eigenbrot, C. | Deposit date: | 2015-05-18 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition. Nat.Chem.Biol., 12, 2016
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8EXL
| Crystal structure of PI3K-alpha in complex with taselisib | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-01-04 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
| Crystal structure of PI3K-alpha in complex with compound 19 | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-01-04 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
| Crystal structure of PI3K-alpha in complex with compound 30 | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-01-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXV
| Crystal structure of PI3K-alpha in complex with compound 32 | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-01-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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6XE4
| BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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3K2U
| Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ... | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | Deposit date: | 2009-09-30 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Unraveling the allosteric mechanism of serine protease inhibition by an antibody. Structure, 17, 2009
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2WUB
| Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp | Descriptor: | FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, ... | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | Deposit date: | 2009-10-01 | Release date: | 2009-12-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody Structure, 17, 2009
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2WUC
| Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp and Ac-KQLR-chloromethylketone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-KQLR-CHLOROMETHYLKETONE INHIBITOR, FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, ... | Authors: | Ganesan, R, Eigenbrot, C, Shia, S. | Deposit date: | 2009-10-01 | Release date: | 2009-12-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody Structure, 17, 2009
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1QE6
| INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C) | Descriptor: | INTERLEUKIN-8 VARIANT, SULFATE ION | Authors: | Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C. | Deposit date: | 1999-07-13 | Release date: | 2000-03-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution. Proteins, 38, 2000
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1YGC
| Short Factor VIIa with a small molecule inhibitor | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | Deposit date: | 2005-01-04 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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5HEZ
| JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 | Descriptor: | CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-01-06 | Release date: | 2016-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity. Sci Transl Med, 8, 2016
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1SI5
| Protease-like domain from 2-chain hepatocyte growth factor | Descriptor: | hepatocyte growth factor | Authors: | Kirchhofer, D, Yao, X, Peek, M, Eigenbrot, C, Lipari, M.T, Billeci, K.L, Maun, H.R, Moran, P, Santell, L, Lazarus, R.A. | Deposit date: | 2004-02-27 | Release date: | 2004-12-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural and functional basis of the serine protease-like hepatocyte growth factor beta-chain in Met binding and signaling J.Biol.Chem., 279, 2004
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6VMJ
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