2RLT
 
 | | phosphorylated CPI-17 (22-120) | | Descriptor: | Protein phosphatase 1 regulatory subunit 14A | | Authors: | Eto, M. | | Deposit date: | 2007-08-11 | | Release date: | 2008-07-15 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Phosphorylation-induced conformational switching of CPI-17 produces a potent myosin phosphatase inhibitor.
Structure, 15, 2007
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1J2M
 | | Solution structure of CPI-17(22-120) | | Descriptor: | 17-kDa PKC-potentiated inhibitory protein of PP1 | | Authors: | Ohki, S, Eto, M, Takada, R, Shimizu, M, Brautigan, D.L, Kainosho, M. | | Deposit date: | 2003-01-07 | | Release date: | 2003-06-17 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Distinctive Solution Conformation of Phosphatase Inhibitor CPI-17 Substituted with Aspartate at the Phosphorylation-site Threonine Residue
J.Mol.Biol., 326, 2003
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1K5O
 | | CPI-17(35-120) deletion mutant | | Descriptor: | CPI-17 | | Authors: | Ohki, S, Eto, M, Kariya, E, Hayano, T, Hayashi, Y, Yazawa, M, Brautigan, D, Kainosho, M. | | Deposit date: | 2001-10-11 | | Release date: | 2002-10-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Myosin Phosphatase Inhibitor Protein CPI-17 Shows Phosphorylation-induced Conformational Changes Responsible for Activation
J.Mol.Biol., 314, 2001
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1J2N
 | | Solution structure of CPI-17(22-120) T38D | | Descriptor: | 17-kDa PKC-potentiated inhibitory protein of PP1 | | Authors: | Ohki, S, Eto, M, Shimizu, M, Takada, R, Brautigan, D.L, Kainosho, M. | | Deposit date: | 2003-01-07 | | Release date: | 2003-06-17 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Distinctive Solution Conformation of Phosphatase Inhibitor CPI-17 Substituted with Aspartate at the Phosphorylation-site Threonine Residue
J.Mol.Biol., 326, 2003
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2KJY
 | | MYPT1(658-714) | | Descriptor: | Protein phosphatase 1 regulatory subunit 12A | | Authors: | Mori, S, Iwaoka, R, Eto, M, Ohki, S. | | Deposit date: | 2009-06-11 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the inhibitory phosphorylation domain of myosin phosphatase targeting subunit 1
Proteins, 77, 2009
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4B7W
 | | Ligand binding domain human hepatocyte nuclear factor 4alpha: Apo form | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 4-ALPHA | | Authors: | Dudasova, Z, Okvist, M, Kretova, M, Ondrovicova, G, Skrabana, R, LeGuevel, R, Salbert, G, Leonard, G, McSweeney, S, Barath, P. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Fatty Acids are not Essential Structural Components of Hepatocyte Nuclear Factor 4Alpha
To be Published
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4AY1
 | | Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2 | | Authors: | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | | Deposit date: | 2012-06-17 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
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2YBT
 | | Crystal structure of human acidic chitinase in complex with bisdionin C | | Descriptor: | 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), ACIDIC MAMMALIAN CHITINASE, GLYCEROL | | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
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2YBU
 | | Crystal structure of human acidic chitinase in complex with bisdionin F | | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
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2F8V
 | | Structure of full length telethonin in complex with the N-terminus of titin | | Descriptor: | N2B-Titin Isoform, SULFATE ION, Telethonin | | Authors: | Pinotsis, N, Petoukhov, M, Lange, S, Svergun, D, Zou, P, Gautel, M, Wilmanns, M. | | Deposit date: | 2005-12-04 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Evidence for a dimeric assembly of two titin/telethonin complexes induced by the telethonin C-terminus.
J.Struct.Biol., 155, 2006
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4CFQ
 | | Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin IIA | | Descriptor: | CALCIUM ION, MYOSIN-9, PROTEIN S100-A4 | | Authors: | Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G. | | Deposit date: | 2013-11-19 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
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4CFR
 | | Ca-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with non- muscle myosin IIA | | Descriptor: | CALCIUM ION, MYOSIN-9, PROTEIN S100-A4 | | Authors: | Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G. | | Deposit date: | 2013-11-19 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
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1DX5
 | | Crystal structure of the thrombin-thrombomodulin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ... | | Authors: | Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W. | | Deposit date: | 1999-12-20 | | Release date: | 2000-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex
Nature, 404, 2000
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1A2Z
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7QT2
 | | Antibody FenAb208 - fentanyl complex | | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT0
 | | Antibody FenAb136 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT4
 | | Antibody FenAb709 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT3
 | | Antibody FenAb609 - fentanyl complex | | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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6MD6
 | | CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2018-09-04 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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6MI1
 | | CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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5KE0
 | | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Lim, J. | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
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7AIV
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide | | Descriptor: | 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide, Acetylcholinesterase | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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7AIT
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide | | Descriptor: | 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide, Acetylcholinesterase | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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7AIS
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide, Acetylcholinesterase, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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7AIY
 | | Crystal structure of human butyrylcholinesterase in complex with 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide | | Descriptor: | 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide, Cholinesterase | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.937 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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