6HU0
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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4TLD
 | | Crystal structure of N-terminal C1 domain of KaiC | | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | Deposit date: | 2014-05-29 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Atomic-scale origins of slowness in the cyanobacterial circadian clock
Science, 349, 2015
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4TX7
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6HDD
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6HQY
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-09-25 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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4TX8
 | | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
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6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HSZ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2 | | Descriptor: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-10-02 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-09-28 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTI
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTT
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HXG
 | | PDX1.2/PDX1.3 complex (intermediate) | | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | | Deposit date: | 2018-10-17 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
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4TXG
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6HU3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HSH
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat | | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.545 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HT8
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3 | | Descriptor: | 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Marek, M, Shaik, T.B, Romier, C. | | Deposit date: | 2018-10-03 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HU2
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11 | | Descriptor: | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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4TX4
 | | Crystal Structure of a Single-Domain Cysteine Protease Inhibitor from Cowpea (Vigna unguiculata) | | Descriptor: | Cysteine proteinase inhibitor, SULFATE ION | | Authors: | Pereira, H.M, Valadares, N, Monteiro-Junior, J.E, Carvalho, C.P.S, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Expression in Escherichia coli of cysteine protease inhibitors from cowpea (Vigna unguiculata): The crystal structure of a single-domain cystatin gives insights on its thermal and pH stability.
Int. J. Biol. Macromol., 102, 2017
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7SW5
 | | MicroED structure of proteinase K from a 460 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.95 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW6
 | | MicroED structure of proteinase K from a 260 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.95 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SVZ
 | | MicroED structure of proteinase K from a 200 nm thick lamella measured at 120 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SWC
 | | MicroED structure of proteinase K from a 550 nm thick lamella measured at 300 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.9 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW0
 | | MicroED structure of proteinase K from a 325 nm thick lamella measured at 120 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.7 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW1
 | | MicroED structure of proteinase K from a 115 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.85 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SW3
 | | MicroED structure of proteinase K from a 95 nm thick lamella measured at 200 kV | | Descriptor: | Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.35 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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