8DWB
 
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6V03
 | | ELIC-propylammonium complex in POPC-only nanodiscs | | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Grosman, C, Kumar, P. | | Deposit date: | 2019-11-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6V0B
 | | Unliganded ELIC in POPC-only nanodiscs. | | Descriptor: | Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Grosman, C, Kumar, P. | | Deposit date: | 2019-11-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VDP
 | | Crystal structure of SfmD truncated variant | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VDZ
 | | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VE0
 | | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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6VDQ
 | | Crystal structure of SfmD | | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | | Authors: | Shin, I, Liu, A. | | Deposit date: | 2019-12-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study.
Chem Sci, 12, 2021
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2Q3X
 | | The RIM1alpha C2B domain | | Descriptor: | CHLORIDE ION, Regulating synaptic membrane exocytosis protein 1, SODIUM ION, ... | | Authors: | Guan, R, Dai, H, Tomchick, D.R, Machius, M, Sudhof, T.C, Rizo, J. | | Deposit date: | 2007-05-30 | | Release date: | 2007-08-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of the RIM1alpha C(2)B Domain at 1.7 A Resolution.
Biochemistry, 46, 2007
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6W9K
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7BYM
 | | Cryo-EM structure of human KCNQ4 with retigabine | | Descriptor: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | | Authors: | Shen, H, Li, T, Yue, Z. | | Deposit date: | 2020-04-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Mol.Cell, 81, 2021
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7BYL
 | | Cryo-EM structure of human KCNQ4 | | Descriptor: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | | Authors: | Shen, H, Li, T, Yue, Z. | | Deposit date: | 2020-04-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Mol.Cell, 81, 2021
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7BYN
 | | Cryo-EM structure of human KCNQ4 with linopirdine | | Descriptor: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one, Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, ... | | Authors: | Shen, H, Li, T, Yue, Z. | | Deposit date: | 2020-04-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Mol.Cell, 81, 2021
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7BH8
 | | 3H4-Fab HLA-E-VL9 co-complex | | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | | Authors: | Walters, L.C, Rozbesky, D. | | Deposit date: | 2021-01-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
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7CCE
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7CC9
 | | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ... | | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | | Deposit date: | 2020-06-16 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
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7CCJ
 | | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein | | Authors: | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
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7CR5
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6IPQ
 | | Non-native ferritin 8-mer mutant-C90A/C102A/C130A | | Descriptor: | Ferritin heavy chain, MAGNESIUM ION | | Authors: | Zang, J, Chen, H, Wang, Y, Zhao, G. | | Deposit date: | 2018-11-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.103 Å) | | Cite: | Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
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7BJX
 | | Crystal structure of CHK1-10pt-mutant complex with compound 26 | | Descriptor: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJJ
 | | Crystal structure of CHK1-10pt-mutant complex with compound 9 | | Descriptor: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJD
 | | Crystal structure of CHK1-10pt-mutant complex with compound 3 | | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJH
 | | Crystal structure of CHK1-10pt-mutant complex with compound 8 | | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJM
 | | Crystal structure of CHK1-10pt-mutant complex with compound 10 | | Descriptor: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJR
 | | Crystal structure of CHK1-10pt-mutant complex with compound 18 | | Descriptor: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJO
 | | Crystal structure of CHK1-10pt-mutant complex with compound 13 | | Descriptor: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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