6L16
 
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6SYC
 | | Crystal structure of the lysozyme in presence of bromophenol blue at pH 6.5 | | Descriptor: | CHLORIDE ION, IMIDAZOLE, Lysozyme, ... | | Authors: | Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C. | | Deposit date: | 2019-09-27 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Lysozyme crystals dyed with bromophenol blue: where has the dye gone?
Acta Crystallogr D Struct Biol, 76, 2020
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6SYG
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6SY9
 | | Structure of the Legionella pneumophila response regulator LqsR | | Descriptor: | Response regulator | | Authors: | Hochstrasser, R, Hutter, C.A.J, Arnold, F.M, Baerlocher, K, Seeger, M.A, Hilbi, H. | | Deposit date: | 2019-09-27 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the Legionella response regulator LqsR reveals amino acids critical for phosphorylation and dimerization.
Mol.Microbiol., 113, 2020
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6SY3
 | | Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6SYD
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6SYE
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6L05
 | | Crystal structure of uPA_H99Y in complex with 50F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 50F
To Be Published
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6UH7
 | | EV-A71 strain 11316 complexed with MADAL compound 30 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6L04
 | | Crystal structure of uPA_H99Y in complex with 31F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 31F
To Be Published
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6UGD
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6UGE
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6UH6
 | | EV-A71 strain 11316 complexed with MADAL compound 22 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6UGF
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6UH1
 | | Structure of the EVA71 strain 11316 capsid | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Lee, H, Hafenstein, S. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
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6SXW
 | | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638) | | Descriptor: | SULFATE ION, Zinc finger protein 638 | | Authors: | Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-09-26 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
To Be Published
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6KZR
 | | Crystal structure of mouse DCAR2 CRD domain | | Descriptor: | C-type lectin domain family 4, member b1, CALCIUM ION, ... | | Authors: | Omahdi, Z, Horikawa, Y, Toyonaga, K, Teramoto, T, Kakuta, Y, Yamasaki, S. | | Deposit date: | 2019-09-25 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR.
J.Biol.Chem., 295, 2020
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6KZW
 | | Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum | | Descriptor: | PHOSPHATE ION, Pyridoxal phosphate homeostasis protein | | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | | Deposit date: | 2019-09-25 | | Release date: | 2019-10-16 | | Last modified: | 2021-01-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
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6KZS
 | | Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole | | Descriptor: | Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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6KZT
 | | Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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6KZF
 | | Racemic X-ray Structure of Calcicludine | | Descriptor: | D-calcicludine, Kunitz-type serine protease inhibitor homolog calcicludine | | Authors: | Qu, Q, Gao, S, Liu, L. | | Deposit date: | 2019-09-24 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Synthesis of Disulfide Surrogate Peptides Incorporating Large-Span Surrogate Bridges Through a Native-Chemical-Ligation-Assisted Diaminodiacid Strategy
Angew.Chem.Int.Ed.Engl., 59, 2020
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6KZI
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | | Descriptor: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | | Deposit date: | 2019-09-24 | | Release date: | 2020-03-04 | | Last modified: | 2021-03-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6KZM
 | | GluK3 receptor complex with kainate | | Descriptor: | Glutamate receptor ionotropic, kainate 3 | | Authors: | Kumar, J, Kumari, J, Burada, A.P. | | Deposit date: | 2019-09-24 | | Release date: | 2020-03-04 | | Method: | ELECTRON MICROSCOPY (9.6 Å) | | Cite: | Structural dynamics of the GluK3-kainate receptor neurotransmitter binding domains revealed by cryo-EM.
Int.J.Biol.Macromol., 149, 2020
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6SWV
 | | Trypsin fast data collection | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | von Stetten, D, Mueller-Dieckmann, C. | | Deposit date: | 2019-09-24 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.432 Å) | | Cite: | ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
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6UEW
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