8R6T
| NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus | 分子名称: | Putative two thyropin protein (Fragment) | 著者 | Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. | 登録日 | 2023-11-23 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-06 | 実験手法 | SOLUTION NMR | 主引用文献 | An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans. Int J Mol Sci, 25, 2024
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7NXM
| Structure of human cathepsin K in complex with the selective activity-based probe Gu3416 | 分子名称: | Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION | 著者 | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | 登録日 | 2021-03-18 | 公開日 | 2021-09-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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7NXL
| Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110 | 分子名称: | Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate | 著者 | Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M. | 登録日 | 2021-03-18 | 公開日 | 2021-09-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity. J.Med.Chem., 64, 2021
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7QBN
| Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBL
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7QBM
| Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | 分子名称: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBO
| Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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5OGR
| Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | 分子名称: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | 著者 | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | 登録日 | 2017-07-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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5OGQ
| Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | 分子名称: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | 著者 | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | 登録日 | 2017-07-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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5V8O
| Discovery of a high affinity inhibitor of cGAS | 分子名称: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Hall, J. | 登録日 | 2017-03-22 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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6I1M
| Secreted type 1 cystatin from Fasciola hepatica | 分子名称: | Cystatin, IODIDE ION | 著者 | Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M. | 登録日 | 2018-10-29 | 公開日 | 2020-08-26 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily. J.Biol.Chem., 299, 2023
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6NAO
| Discovery of a high affinity inhibitor of cGAS | 分子名称: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | 著者 | Hall, J. | 登録日 | 2018-12-06 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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5N71
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | 分子名称: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7Q
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-21 | 公開日 | 2017-12-27 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N70
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | 分子名称: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7N
| CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | 分子名称: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-21 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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6C0A
| Actinin-1 EF-Hand bound to the Cav1.2 IQ Motif | 分子名称: | Alpha-actinin-1, Voltage-dependent L-type calcium channel subunit alpha-1C | 著者 | Turner, M.L, Ames, J.B. | 登録日 | 2017-12-28 | 公開日 | 2019-01-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Basis of the Localization and Activation of Neuronal L-type Ca2+ Channels by a-Actinin1 and Calmodulin To be Published
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3H6T
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution | 分子名称: | ACETATE ION, CACODYLATE ION, CYCLOTHIAZIDE, ... | 著者 | Hald, H, Gajhede, M, Kastrup, J.S. | 登録日 | 2009-04-24 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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3H6U
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution | 分子名称: | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ... | 著者 | Hald, H, Gajhede, M, Kastrup, J.S. | 登録日 | 2009-04-24 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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3H6V
| Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5206 at 2.10 A resolution | 分子名称: | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ... | 著者 | Hald, H, Gajhede, M, Kastrup, J.S. | 登録日 | 2009-04-24 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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1MQD
| X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.46 A resolution. Crystallization in the presence of lithium sulfate. | 分子名称: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, GLYCEROL, Glutamate receptor subunit 2, ... | 著者 | Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S. | 登録日 | 2002-09-16 | 公開日 | 2003-07-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | GluR2 ligand-binding core complexes: Importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists. FEBS Lett., 531, 2002
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1M5D
| X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION | 分子名称: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | 著者 | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | 登録日 | 2002-07-09 | 公開日 | 2002-09-18 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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1M5B
| X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-Me-Tet-AMPA AT 1.85 A RESOLUTION. | 分子名称: | (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID, Glutamate receptor 2, ZINC ION | 著者 | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | 登録日 | 2002-07-09 | 公開日 | 2002-09-18 | 最終更新日 | 2017-08-16 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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1M5F
| X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION | 分子名称: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | 著者 | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | 登録日 | 2002-07-09 | 公開日 | 2002-09-18 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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1M5E
| X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION | 分子名称: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | 著者 | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | 登録日 | 2002-07-09 | 公開日 | 2002-09-18 | 最終更新日 | 2017-08-16 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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