6VYE
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1JQY
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![BU of 1jqy by Molmil](/molmil-images/mine/1jqy) | HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 | Descriptor: | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2001-08-09 | Release date: | 2002-05-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes. Chem.Biol., 9, 2002
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4TZR
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![BU of 4tzr by Molmil](/molmil-images/mine/4tzr) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2014-07-10 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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4WG5
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4WG3
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4WG4
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6BFA
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![BU of 6bfa by Molmil](/molmil-images/mine/6bfa) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2017-10-26 | Release date: | 2017-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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1CHQ
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1CHP
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4JBV
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6VMT
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1CT1
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![BU of 1ct1 by Molmil](/molmil-images/mine/1ct1) | CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE | Descriptor: | CHLORIDE ION, CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 1997-06-03 | Release date: | 1997-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of receptor binding by cholera toxin mutants. Protein Sci., 6, 1997
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4YJN
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4YSJ
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1QCB
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4M84
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1QB5
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4ONA
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4DGG
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![BU of 4dgg by Molmil](/molmil-images/mine/4dgg) | c-SRC kinase domain in complex with RM-1-176 | Descriptor: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-01-25 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Active site profiling reveals coupling between domains in SRC-family kinases. Nat.Chem.Biol., 9, 2013
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4Y5Q
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4EQU
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![BU of 4equ by Molmil](/molmil-images/mine/4equ) | Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7 | Descriptor: | CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ... | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-04-19 | Release date: | 2012-11-07 | Last modified: | 2012-12-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Affinity-Based Probes Based on Type II Kinase Inhibitors. J.Am.Chem.Soc., 134, 2012
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1EFI
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1EEI
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4M97
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![BU of 4m97 by Molmil](/molmil-images/mine/4m97) | Calcium-Dependent Protein Kinase 1 from Neospora caninum | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-08-14 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4DS2
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