8WW2
| GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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8I4Y
| CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8I4Z
| CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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4NCM
| Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2013-10-24 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
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7LQ7
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2021-02-13 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern. Sci Transl Med, 13, 2021
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4IRE
| Crystal structure of GLIC with mutations at the loop C region | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, OXALATE ION, ... | Authors: | Chen, Q, Pan, J, Liang, Y.H, Xu, Y, Tang, P. | Deposit date: | 2013-01-14 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Signal transduction pathways in the pentameric ligand-gated ion channels. Plos One, 8, 2013
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3H0Z
| Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H10
| Aurora A inhibitor complex | Descriptor: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H0Y
| Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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6LH8
| Structure of aerolysin-like protein (Bombina maxima) | Descriptor: | aerolysin-like protein | Authors: | Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y. | Deposit date: | 2019-12-07 | Release date: | 2020-06-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions. J.Biol.Chem., 295, 2020
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6LHZ
| Structure of aerolysin-like protein (Bombina maxima) | Descriptor: | aerolysin-like protein | Authors: | Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions. J.Biol.Chem., 295, 2020
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3COH
| Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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3IMX
| Crystal Structure of human glucokinase in complex with a synthetic activator | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | Authors: | Stams, T, Vash, B. | Deposit date: | 2009-08-11 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J.Med.Chem., 52, 2009
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8WD6
| Cryo-EM structure of the ABCG25 | Descriptor: | ABC transporter G family member 25 | Authors: | Xin, J, Yan, K.G. | Deposit date: | 2023-09-14 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter. Plant Commun., 5, 2024
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8WAM
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8WBA
| Cryo-EM structure of the ABCG25 bound to CHS | Descriptor: | ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE | Authors: | Xin, J, Yan, K.G. | Deposit date: | 2023-09-09 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter. Plant Commun., 5, 2024
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8WBX
| Cryo-EM structure of the ABCG25 bound to ABA | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | Authors: | Xin, J, Yan, K.G. | Deposit date: | 2023-09-10 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter. Plant Commun., 5, 2024
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5K4L
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4P59
| HER3 extracellular domain in complex with Fab fragment of MOR09825 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOR09825 Fab fragment heavy chain, ... | Authors: | Sprague, E.R. | Deposit date: | 2014-03-15 | Release date: | 2014-04-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin. Cancer Res., 73, 2013
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6C1S
| Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | Authors: | Jacobs, M.D, Griffin, J.P. | Deposit date: | 2018-01-05 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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5YAG
| Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine N-Acetyltransferase | Descriptor: | AAEL004827-PA, GLYCEROL | Authors: | Han, Q, Guan, H, Robinson, H, Li, J. | Deposit date: | 2017-08-31 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti. PLoS ONE, 13, 2018
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6BPP
| E. coli MsbA in complex with LPS and inhibitor G092 | Descriptor: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | Authors: | Ho, H, Koth, C.M, Payandeh, J. | Deposit date: | 2017-11-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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6BPL
| E. coli MsbA in complex with LPS and inhibitor G907 | Descriptor: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Ho, H, Koth, C.M, Payandeh, J. | Deposit date: | 2017-11-23 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA. Nature, 557, 2018
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8IPT
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