8TBJ
| Tricomplex of RMC-7977, KRAS G12A, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
|
|
8TBG
| Tricomplex of RMC-7977, HRAS WT, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | Authors: | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
|
|
8TBE
| Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir | Descriptor: | 3C-like proteinase nsp5, Pomotrelvir bound form | Authors: | Olland, A, Fontano, E, White, A. | Deposit date: | 2023-06-28 | Release date: | 2023-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions. Antimicrob.Agents Chemother., 67, 2023
|
|
8TBD
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TB8
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TB5
| TYK2 JH2 bound to Compound7 | Descriptor: | ACETATE ION, N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | Deposit date: | 2023-06-28 | Release date: | 2023-10-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712. J.Med.Chem., 66, 2023
|
|
8TB4
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T*(DAP))-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TB3
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-28 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TAZ
| Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors | Descriptor: | Angiotensin-converting enzyme, Spike glycoprotein | Authors: | Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B. | Deposit date: | 2023-06-28 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2. J Med Virol, 95, 2023
|
|
8TAT
| CRYSTAL STRUCTURE OF R9A SPIN LABELED T4 LYSOZYME MUTANT K65R9A/R76R9A | Descriptor: | Endolysin, methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical | Authors: | Chen, M, Hubbell, W.L, Cascio, D. | Deposit date: | 2023-06-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Highly Ordered Nitroxide Side Chain for Distance Mapping and Monitoring Slow Structural Fluctuations in Proteins. Appl.Magn.Reson., 55, 2024
|
|
8TAQ
| Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TAP
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TAN
| CryoEM structure of MFRV-VILP bound to IGF1Rzip | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor, ... | Authors: | Kirk, N.S. | Deposit date: | 2023-06-27 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | A viral insulin-like peptide inhibits IGF-1 receptor phosphorylation and regulates IGF1R gene expression. Mol Metab, 80, 2024
|
|
8TAM
| Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TAJ
| Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TA9
| Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A*(DAP))-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-27 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8TA8
| Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(NT)*(NT))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-26 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
|
|
8T9T
| |
8T9N
| Bacillus subtilis RsgI GGG mutant | Descriptor: | Anti-sigma-I factor RsgI | Authors: | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | Deposit date: | 2023-06-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8T9D
| CryoEM structure of TR-TRAP | Descriptor: | Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ... | Authors: | Zhao, H, Asturias, F. | Deposit date: | 2023-06-23 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.66 Å) | Cite: | An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II To Be Published
|
|
8T99
| Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-L-1,4-[PP]2-(2,3)IP2, Mg, and Fluoride ion | Descriptor: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)], CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
|
|
8T98
| Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-3-PP-(1,2,4,5)IP4, Mg, and Fluoride ion | Descriptor: | (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
|
|
8T94
| |
8T8G
| |
8T8D
| Structure of Helicobacter pylori adhesin A, HpaA | Descriptor: | ACETATE ION, GLYCEROL, Neuraminyllactose-binding hemagglutinin | Authors: | Martini, C, Calmettes, C. | Deposit date: | 2023-06-22 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unraveling the crystal structure of the HpaA adhesin: insights into cell adhesion function and epitope localization of a Helicobacter pylori vaccine candidate. Mbio, 15, 2024
|
|