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8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSW
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BU of 8tsw by Molmil
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
8TSV
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BU of 8tsv by Molmil
Crystal structure of the Zika virus stem-loop A (SLA) top stem
Descriptor: GLYCEROL, SULFATE ION, Zika virus stem-loop A (SLA) top stem
Authors:Tipo, J, Gottipati, K, Choi, K.H.
Deposit date:2023-08-11
Release date:2024-03-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:High-resolution RNA tertiary structures in Zika virus stem-loop A for the development of inhibitory small molecules.
Rna, 30, 2024
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-11
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSS
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BU of 8tss by Molmil
Open, inward-facing MsbA structure (OIF3)
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 (3.7 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
8TSR
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BU of 8tsr by Molmil
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
8TSQ
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BU of 8tsq by Molmil
Open, inward-facing MsbA structure (OIF2)
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 (3.6 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
8TSP
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BU of 8tsp by Molmil
Open, inward-facing MsbA structure (OIF1)
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
8TSO
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BU of 8tso by Molmil
KDL bound, nucleotide-free MsbA in open, outward-facing conformation
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-binding transport protein MsbA, PENTAETHYLENE GLYCOL MONODECYL ETHER
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 (2.68 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
8TSL
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BU of 8tsl by Molmil
S. thermodepolymerans KpsM-KpsE in Apo 2 state with rigid body fitted KpsT
Descriptor: ABC transporter ATP-binding protein, Capsular biosynthesis protein, Transport permease protein
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
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
8TSI
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BU of 8tsi by Molmil
S. thermodepolymerans KpsMT-KpsE in complex with ADP:AlF4-
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TSH
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BU of 8tsh by Molmil
S. thermodepolymerans KpsMT(E151Q)-KpsE in complex with ATP
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
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
8TSD
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BU of 8tsd by Molmil
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
8TSC
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BU of 8tsc by Molmil
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
8TSB
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BU of 8tsb by Molmil
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
8TSA
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BU of 8tsa by Molmil
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
8TS9
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BU of 8ts9 by Molmil
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
8TS8
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BU of 8ts8 by Molmil
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
8TS7
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BU of 8ts7 by Molmil
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
8TS6
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BU of 8ts6 by Molmil
Cyanophage A-1(L) portal
Descriptor: Portal protein
Authors:Yu, R.C, Li, Q, Zhou, C.Z.
Deposit date:2023-08-11
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
8TS5
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BU of 8ts5 by Molmil
Structure of the apo FabS1C_C1
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TS4
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BU of 8ts4 by Molmil
Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W, Guddat, L.W.
Deposit date:2023-08-10
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TS0
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BU of 8ts0 by Molmil
Crystal Structure of human ASGR1 CRD (Carbohydrate Recognition Domain) bound to 8M24 Fab
Descriptor: 8M24 Fab Heavy chain, 8M24 Fab Light chain, Asialoglycoprotein receptor 1, ...
Authors:Sampathkumar, P, Li, Y.
Deposit date:2023-08-10
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024

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PDB entries from 2024-06-26

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