3ZUT
 
 | | The structure of OST1 (D160A) kinase | | Descriptor: | Serine/threonine-protein kinase SRK2E | | Authors: | Yunta, C, Martinez-Ripoll, M, Albert, A. | | Deposit date: | 2011-07-20 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress.
J. Mol. Biol., 414, 2011
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3ZUU
 | | The structure of OST1 (D160A, S175D) kinase in complex with gold | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Serine/threonine-protein kinase SRK2E | | Authors: | Yunta, C, Martinez-Ripoll, M, Albert, A. | | Deposit date: | 2011-07-20 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of Arabidopsis thaliana OST1 provides insights into the kinase regulation mechanism in response to osmotic stress.
J. Mol. Biol., 414, 2011
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5FT3
 | | Aedes aegypti GSTe2 | | Descriptor: | GLUTATHIONE, GLUTATHIONE S-TRANSFERASE EPSILON 2 | | Authors: | Yunta, C. | | Deposit date: | 2016-01-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.431 Å) | | Cite: | A Simple Test for the Determination of Ddt on Sprayed Surfaces
To be Published
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3ZML
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3ZMK
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4CBS
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4CBR
 | | X-ray structure of the more stable human AGXT triple mutant (AGXT_HEM) | | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SERINE--PYRUVATE AMINOTRANSFERASE | | Authors: | Yunta, C, Albert, A. | | Deposit date: | 2013-10-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Consensus-Based Approach for Gene/Enzyme Replacement Therapies and Crystallization Strategies: The Case of Human Alanine:Glyoxylate Aminotransferase.
Biochem.J., 462, 2014
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7VH5
 | | Cryo-EM structure of the hexameric plasma membrane H+-ATPase in the autoinhibited state (pH 7.4, C1 symmetry) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Plasma membrane ATPase 1, SPHINGOSINE | | Authors: | Zhao, P, Zhao, C, Chen, D, Yun, C, Li, H, Bai, L. | | Deposit date: | 2021-09-21 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure and activation mechanism of the hexameric plasma membrane H + -ATPase.
Nat Commun, 12, 2021
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7VH6
 | | Cryo-EM structure of the hexameric plasma membrane H+-ATPase in the active state (pH 6.0, BeF3-, conformation 1, C1 symmetry) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BERYLLIUM TRIFLUORIDE ION, Plasma membrane ATPase 1 | | Authors: | Zhao, P, Zhao, C, Chen, D, Yun, C, Li, H, Bai, L. | | Deposit date: | 2021-09-21 | | Release date: | 2021-11-24 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and activation mechanism of the hexameric plasma membrane H + -ATPase.
Nat Commun, 12, 2021
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2YOB
 | | High resolution AGXT_M structure | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Fabelo-Rosa, I, Mesa-Torres, N, Riverol, D, Yunta, C, Albert, A, Salido, E, Pey, A.L. | | Deposit date: | 2012-10-22 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Role of Protein Denaturation Energetics and Molecular Chaperones in the Aggregation and Mistargeting of Mutants Causing Primary Hyperoxaluria Type I
Plos One, 8, 2013
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5MMX
 | | ABA RECEPTOR FROM CITRUS, CSPYL1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.882 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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5MOA
 | | ABA RECEPTOR FROM TOMATO, SlPYL1 | | Descriptor: | SlPYL1 | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | | Deposit date: | 2016-12-14 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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5MMQ
 | | ABA RECEPTOR FROM CITRUS, CSPYL1 | | Descriptor: | CSPYL1 | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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5MN0
 | | ABA RECEPTOR FROM CITRUS, CSPYL1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CHLORIDE ION, CSPYL1, ... | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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5MOB
 | | ABA RECEPTOR FROM TOMATO, SlPYL1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | | Deposit date: | 2016-12-14 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.669 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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7YAZ
 | | Crystal structure of ZAK in complex with compound YH-186 | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2022-06-28 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
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7YAW
 | | Crystal structure of ZAK in complex with compound YH-180 | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2022-06-28 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
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5GMP
 | | Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | | Descriptor: | Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-14 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
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8ELG
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8ELH
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8HAY
 | | d4-bound btDPP4 | | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-10-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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8JZN
 | | Structure of a fungal 1,3-beta-glucan synthase | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | | Deposit date: | 2023-07-05 | | Release date: | 2023-10-04 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structure of a fungal 1,3-beta-glucan synthase.
Sci Adv, 9, 2023
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7Y4F
 | | bacterial DPP4 | | Descriptor: | Dipeptidyl peptidase IV | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-06-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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7Y4G
 | | sit-bound btDPP4 | | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-06-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
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6IEG
 | | Crystal structure of human MTR4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | | Authors: | Chen, J.Y, Yun, C.H. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
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