6O5H
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![BU of 6o5h by Molmil](/molmil-images/mine/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
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![BU of 8ibq by Molmil](/molmil-images/mine/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
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![BU of 8idh by Molmil](/molmil-images/mine/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
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![BU of 8ija by Molmil](/molmil-images/mine/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
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![BU of 8ijd by Molmil](/molmil-images/mine/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
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![BU of 8ij3 by Molmil](/molmil-images/mine/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
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![BU of 8ijb by Molmil](/molmil-images/mine/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
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![BU of 6po6 by Molmil](/molmil-images/mine/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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![BU of 4wg4 by Molmil](/molmil-images/mine/4wg4) | |
4CAD
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![BU of 4cad by Molmil](/molmil-images/mine/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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![BU of 4jbv by Molmil](/molmil-images/mine/4jbv) | |
4FZA
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![BU of 4fza by Molmil](/molmil-images/mine/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
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![BU of 4fzf by Molmil](/molmil-images/mine/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
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![BU of 6aej by Molmil](/molmil-images/mine/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
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![BU of 4hri by Molmil](/molmil-images/mine/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
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![BU of 6l50 by Molmil](/molmil-images/mine/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
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![BU of 6l58 by Molmil](/molmil-images/mine/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
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![BU of 8y8e by Molmil](/molmil-images/mine/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
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![BU of 8y0y by Molmil](/molmil-images/mine/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
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![BU of 8y8c by Molmil](/molmil-images/mine/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
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![BU of 8y8h by Molmil](/molmil-images/mine/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
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![BU of 8y8i by Molmil](/molmil-images/mine/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
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![BU of 8xsi by Molmil](/molmil-images/mine/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
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![BU of 8xse by Molmil](/molmil-images/mine/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
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![BU of 8xsj by Molmil](/molmil-images/mine/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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