8KFP
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8TUI
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![BU of 8tui by Molmil](/molmil-images/mine/8tui) | Crystal structure of Fab-Lirilumab bound to KIR2DL3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell immunoglobulin-like receptor 2DL3, Lirilumab Fab Heavy Chain, ... | Authors: | Lorig-Roach, N, DuBois, R.M. | Deposit date: | 2023-08-16 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the activity and specificity of the immune checkpoint inhibitor lirilumab. Sci Rep, 14, 2024
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8TUC
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![BU of 8tuc by Molmil](/molmil-images/mine/8tuc) | Unphosphorylated CaMKK2 in complex with CC-8977 | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | Deposit date: | 2023-08-16 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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8TUN
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![BU of 8tun by Molmil](/molmil-images/mine/8tun) | S. thermodepolymerans KpsM-KpsE in Glycolipid 1 state with rigid body fitted KpsT | Descriptor: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid, ABC transporter ATP-binding protein, Capsular biosynthesis protein, ... | Authors: | Kuklewicz, J, Zimmer, J. | Deposit date: | 2023-08-16 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular insights into capsular polysaccharide secretion. Nature, 628, 2024
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8Q7Q
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![BU of 8q7q by Molmil](/molmil-images/mine/8q7q) | Structure of the recycling U5 snRNP bound to chaperones CD2BP2 and TSSC4 (State 2) | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Riabov Bassat, D, Plaschka, C, Vorlaender, M.K. | Deposit date: | 2023-08-16 | Release date: | 2024-04-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of human U5 snRNP late biogenesis and recycling. Nat.Struct.Mol.Biol., 31, 2024
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8Q7N
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![BU of 8q7n by Molmil](/molmil-images/mine/8q7n) | cryo-EM structure of the human spliceosomal B complex protomer (tri-snRNP core region) | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ... | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2023-08-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | New insights into the functions of B complex proteins revealed by cryo-EM of dimerized spliceosomes To Be Published
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8TU6
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![BU of 8tu6 by Molmil](/molmil-images/mine/8tu6) | CryoEM structure of PI3Kalpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Valverde, R, Shi, H, Holliday, M. | Deposit date: | 2023-08-15 | Release date: | 2023-11-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8Q6X
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![BU of 8q6x by Molmil](/molmil-images/mine/8q6x) | Crystal structure of Cytochrome P450 GymB5 from Streptomyces katrae | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Freytag, J, Mueller, J.M, Stehle, T, Zocher, G. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity Chemcatchem, 16, 2024
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8Q6Y
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![BU of 8q6y by Molmil](/molmil-images/mine/8q6y) | Crystal structure of Cytochrome P450 GymB5 from Streptomyces katrae in complex with cYY and Hypoxanthine | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, 1,2-ETHANEDIOL, Cytochrome P450, ... | Authors: | Freytag, J, Mueller, J.M, Stehle, T, Zocher, G. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity Chemcatchem, 16, 2024
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8Q77
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![BU of 8q77 by Molmil](/molmil-images/mine/8q77) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780 | Descriptor: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | Deposit date: | 2023-08-15 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.255 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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8Q6T
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8Q6M
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![BU of 8q6m by Molmil](/molmil-images/mine/8q6m) | Human SOD1 low dose data collecton | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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8TSW
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![BU of 8tsw by Molmil](/molmil-images/mine/8tsw) | S. thermodepolymerans KpsMT-KpsE Apo 1 | Descriptor: | ABC transporter ATP-binding protein, Capsular biosynthesis protein, Transport permease protein | Authors: | Kuklewicz, J, Zimmer, J. | Deposit date: | 2023-08-12 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular insights into capsular polysaccharide secretion. Nature, 628, 2024
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8TT3
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![BU of 8tt3 by Molmil](/molmil-images/mine/8tt3) | S. thermodepolymerans KpsM-KpsE in Glycolipid 2 state with rigid body fitted KpsT | Descriptor: | (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid, ABC transporter ATP-binding protein, Capsular biosynthesis protein, ... | Authors: | Kuklewicz, J, Zimmer, J. | Deposit date: | 2023-08-12 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular insights into capsular polysaccharide secretion. Nature, 628, 2024
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8TSB
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![BU of 8tsb by Molmil](/molmil-images/mine/8tsb) | Human PI3K p85alpha/p110alpha bound to compound 2 | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSA
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![BU of 8tsa by Molmil](/molmil-images/mine/8tsa) | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS8
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![BU of 8ts8 by Molmil](/molmil-images/mine/8ts8) | p85alpha/p110alpha heterodimer H1047R mutant | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSD
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![BU of 8tsd by Molmil](/molmil-images/mine/8tsd) | Human PI3K p85alpha/p110alpha bound to RLY-2608 | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS7
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![BU of 8ts7 by Molmil](/molmil-images/mine/8ts7) | Human PI3K p85alpha/p110alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS9
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![BU of 8ts9 by Molmil](/molmil-images/mine/8ts9) | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSC
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![BU of 8tsc by Molmil](/molmil-images/mine/8tsc) | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSI
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![BU of 8tsi by Molmil](/molmil-images/mine/8tsi) | |
8TSH
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![BU of 8tsh by Molmil](/molmil-images/mine/8tsh) | |
8TSL
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![BU of 8tsl by Molmil](/molmil-images/mine/8tsl) | |
8TSR
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![BU of 8tsr by Molmil](/molmil-images/mine/8tsr) | Open, inward-facing MsbA structure (OIF4) | Descriptor: | ATP-binding transport protein MsbA | Authors: | Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2023-08-11 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Native mass spectrometry captures snapshots of the MsbA transport cycle To Be Published
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