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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5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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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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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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7SW7
 | | MicroED structure of proteinase K from a 530 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 (2.3 Å) | | Cite: | Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7L1X
 | | Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | | Descriptor: | (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Rechkoblit, O, Aggarwal, A.K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Nat Commun, 12, 2021
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5U7Q
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6CLB
 | | 3.20 A MicroED structure of proteinase K at 7.8 e- / A^2 | | Descriptor: | Proteinase K | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.2 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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5UFZ
 | | HIV-1 Protease complexed with Inhibitor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate, Protease | | Authors: | Zachary, N.E.R. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Synthesis of Novel HIV-1 Protease Inhibitors via Diasteroselective Henry Reaction with Nitrocyclopropane
TO BE PUBLISHED
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4NPU
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5Y12
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7BKW
 | | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | Deposit date: | 2021-01-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
To Be Published
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6J83
 | | Crystal structure of TleB with NMVT | | Descriptor: | Cytochrome P-450, N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fei, H, Mori, T, Abe, I. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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5UB8
 | | Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Likely rab family GTP-binding protein, ZINC ION | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II)
To Be Published
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6CO5
 | | Dehaloperoxidase B in complex with 6-Br-ortho-guaiacol | | Descriptor: | 2-bromo-6-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
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4NG8
 | | Dialyzed HEW lysozyme batch crystallized in 1.9 M CsCl and collected at 100 K. | | Descriptor: | CESIUM ION, CHLORIDE ION, Lysozyme C | | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | | Deposit date: | 2013-11-01 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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7BKY
 | | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | Deposit date: | 2021-01-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
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4NIX
 | | Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Schoepfel, M, Parthier, C, Stubbs, M.T. | | Deposit date: | 2013-11-08 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NJD
 | | Structure of p21-activated kinase 4 with a novel inhibitor KY-04031 | | Descriptor: | N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine, Serine/threonine-protein kinase PAK 4 | | Authors: | Park, S. | | Deposit date: | 2013-11-09 | | Release date: | 2014-05-21 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and the structural basis of a novel p21-activated kinase 4 inhibitor.
Cancer Lett., 349, 2014
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8F28
 | | Lysozyme Structures from Single-Entity Crystallization Method NanoAC | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Yang, R, Sankaran, B, Ogbonna, E, Wang, G. | | Deposit date: | 2022-11-07 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
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5UDA
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7KRW
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4NKK
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7KO2
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