6O5H
 
 | | The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity. | | Descriptor: | 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION | | Authors: | Noble, S.M, Lee, K.H, Paige, M. | | Deposit date: | 2019-03-03 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
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8IBQ
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-10 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-13 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IJA
 | | Cryo-EM structure of human HCAR2-Gi complex with niacin | | 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(i) subunit alpha-1, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-26 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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8IJD
 | | Cryo-EM structure of human HCAR2-Gi complex with MK-6892 | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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8IJ3
 | | Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state) | | 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(i) subunit alpha-1, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-24 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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8IJB
 | | Cryo-EM structure of human HCAR2-Gi complex with acipimox | | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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6PO6
 | | MicroED Structure of a Natural Product VFAThiaGlu | | Descriptor: | YFAThiaGlu | | Authors: | Halaby, S, Gonen, T, Ting, C.P, Funk, M.A, van der Donk, W.A. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Use of a scaffold peptide in the biosynthesis of amino acid-derived natural products.
Science, 365, 2019
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4WG4
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4CAD
 | | Mechanism of farnesylated CAAX protein processing by the integral membrane protease Rce1 | | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Kulkarni, K, Manolaridis, I, Dodd, R.B, Cronin, N, Ogasawara, S, Iwata, S, Barford, D. | | Deposit date: | 2013-10-08 | | Release date: | 2013-11-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Farnesylated Caax Protein Processing by the Intramembrane Protease Rce1
Nature, 504, 2013
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4JBV
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4FZA
 | | Crystal structure of MST4-MO25 complex | | Descriptor: | Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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4FZF
 | | Crystal structure of MST4-MO25 complex with DKI | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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4HRI
 | | Crystal structure of HetR in complex with a 21-bp palindromic DNA at the upstream of the hetP promoter from Anabaena | | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ... | | Authors: | Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhang, C.C, Zhou, C.Z. | | Deposit date: | 2012-10-28 | | Release date: | 2013-04-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.954 Å) | | Cite: | Structural and biochemical analyses of Anabaena HetR reveal insights into its binding to DNA targets and the inhibitory hexapeptide ERGSGR
To be Published
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6L50
 | | Crystal structure of Zika NS2B-NS3 protease with compound 16 | | Descriptor: | 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B | | Authors: | Quek, J.P. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
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6L58
 | | Cu(II) loaded Tegillarca granosa M-ferritin soaked with Fe(II) | | Descriptor: | COPPER (II) ION, Ferritin | | Authors: | Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S. | | Deposit date: | 2019-10-22 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.90270972 Å) | | Cite: | Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
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8Y8E
 | | Structure of HCoV-HKU1C spike in the inactive-2up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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8Y0Y
 | | Cryo-EM structure of the 123-316 scDb/PT-RBD complex | | Descriptor: | 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M. | | Deposit date: | 2024-01-23 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8Y8C
 | | Structure of HCoV-HKU1C spike in the inactive-closed conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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8Y8H
 | | Structure of HCoV-HKU1C spike in the glycan-activated-2up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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8Y8I
 | | Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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8XSI
 | | SARS-CoV-2 RBD + IMCAS-364 (Local Refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-364 H chain, IMCAS-364 L chain, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8XSE
 | | SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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8XSJ
 | | SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | | Deposit date: | 2024-01-09 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
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