9CE4
 
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6 | | Descriptor: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L, Zebisch, M, Henry, C, Barker, J.J. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
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9CZP
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9CZL
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9CZI
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9CZN
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6LB7
 | | Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex | | Descriptor: | CALCIUM ION, Calcium uptake protein 1, mitochondrial, ... | | Authors: | Wu, W, Shen, Q, Zheng, J, Jia, Z. | | Deposit date: | 2019-11-13 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
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3KMC
 | | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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7W26
 | | monolignol ferulate transferase | | Descriptor: | Ferulate monolignol transferase | | Authors: | Xi, L, Shuliu, D, Yue, F, Yi, Z. | | Deposit date: | 2021-11-22 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates.
Biochem.Biophys.Res.Commun., 594, 2022
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3LEA
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8WCP
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8WH4
 | | MPOX E5 hexamer ssDNA bound apo conformation | | Descriptor: | DNA (5'-D(P*CP*CP*CP*C)-3'), Uncoating factor OPG117 | | Authors: | Zhang, Z, Dong, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-09-25 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Essential and multifunctional mpox virus E5 helicase-primase in double and single hexamer.
Sci Adv, 10, 2024
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8WH3
 | | MPOX E5 hexamer apo form | | Descriptor: | Uncoating factor OPG117 | | Authors: | Zhang, Z, Dong, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-09-25 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Essential and multifunctional mpox virus E5 helicase-primase in double and single hexamer.
Sci Adv, 10, 2024
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8WH6
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8WGZ
 | | MPOX E5 double hexamer ssDNA bound conformation | | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*C)-3'), Uncoating factor OPG117 | | Authors: | Zhang, Z, Dong, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-16 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Essential and multifunctional mpox virus E5 helicase-primase in double and single hexamer.
Sci Adv, 10, 2024
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8WGY
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8WH0
 | | MPOX E5 hexamer ssDNA and AMP-PNP bound conformation | | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*C)-3'), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Zhang, Z, Dong, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-10-09 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Essential and multifunctional mpox virus E5 helicase-primase in double and single hexamer.
Sci Adv, 10, 2024
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3LE9
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8WH2
 | | MPOX E5 hexamer 2ATP, 2ADP, and ssDNA binding comformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*CP*CP*CP*C)-3'), ... | | Authors: | Zhang, Z, Dong, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-11-27 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Essential and multifunctional mpox virus E5 helicase-primase in double and single hexamer.
Sci Adv, 10, 2024
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3KME
 | | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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9J31
 | | cryo-EM structure of zebrafish GPR4-Gs complex at pH 8.5 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Ma, Y.T, Tang, M.Y, Song, G.J, Ru, H. | | Deposit date: | 2024-08-07 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Cryo-EM structure of an activated GPR4-Gs signaling complex.
Nat Commun, 16, 2025
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9JAL
 | | Cryo-EM structure of MPXV core protease in complex with compound A1 | | Descriptor: | A1ECM-DI8-ALA-ETA, Core protease I7 | | Authors: | Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H. | | Deposit date: | 2024-08-25 | | Release date: | 2025-03-12 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
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9JAN
 | | Cryo-EM structure of MPXV protease in complex with compound A4 | | Descriptor: | A1ECL-DI8-ALA-AEM, Core protease I7 | | Authors: | Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H. | | Deposit date: | 2024-08-25 | | Release date: | 2025-03-12 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
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9JAM
 | | Cryo-EM structure of MPXV core protease in complex with compound A3 | | Descriptor: | A1ECK-DI8-ALA-AEM, Core protease I7 | | Authors: | Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H. | | Deposit date: | 2024-08-25 | | Release date: | 2025-03-12 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
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3NI2
 | | Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine | | Authors: | Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C. | | Deposit date: | 2010-06-14 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
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3O64
 | | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | | Descriptor: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | Authors: | Orth, P. | | Deposit date: | 2010-07-28 | | Release date: | 2011-04-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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