8S8C
 
 | | Structure of Kras in complex with inhibitor MK-1084 | | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Day, P.J, Cleasby, A. | | Deposit date: | 2024-03-06 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
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8G6K
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6UBE
 | | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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8BF6
 | | X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex | | Descriptor: | ABC transporter, Azotochelin, FE (III) ION, ... | | Authors: | Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J. | | Deposit date: | 2022-10-24 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
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5KUB
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5IID
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | | Deposit date: | 2016-03-01 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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8G6O
 | | HIV-1 capsid lattice bound to IP6 and Lenacapavir | | Descriptor: | Capsid protein | | Authors: | Highland, C.M, Dick, R.A. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GFT
 | | Hsp90 provides platform for CRaf dephosphorylation by PP5 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... | | Authors: | Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. | | Deposit date: | 2023-03-08 | | Release date: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
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8G6M
 | | HIV-1 CA lattice bound to IP6, pH 7.4 | | Descriptor: | Capsid protein | | Authors: | Highland, C.M, Dick, R.A. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G6N
 | | HIV-1 capsid lattice bound to dNTPs | | Descriptor: | Capsid protein | | Authors: | Highland, C.M, Dick, R.A. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7M9Q
 | | HIV-1 Protease WT (NL4-3) in Complex with LR4-33 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-33
To Be Published
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7R62
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative | | Descriptor: | 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide, Estrogen receptor | | Authors: | Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza Sanchez, R, Marinier, A, Gleason, J, Greene, G.L, Mader, S.C, Fanning, S.W. | | Deposit date: | 2021-06-22 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative
To Be Published
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6OO7
 | | Cryo-EM structure of the C2-symmetric TRPV2/RTx complex in nanodiscs | | Descriptor: | TRPV2, resiniferatoxin | | Authors: | Zubcevic, L, Hsu, A.L, Borgnia, M.J, Lee, S.-Y. | | Deposit date: | 2019-04-22 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Symmetry transitions during gating of the TRPV2 ion channel in lipid membranes.
Elife, 8, 2019
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5KVI
 | | Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ... | | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
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6QVJ
 | | HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule | | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-03-02 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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6EGN
 | | Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere | | Descriptor: | CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ... | | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2018-08-20 | | Release date: | 2019-04-03 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
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8RTE
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8BAQ
 | | E. coli C7 DarT1 in complex with NAD+ | | Descriptor: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
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8BAU
 | | Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | | Descriptor: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
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7P7G
 | | Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ... | | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-19 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.
Mol.Cell, 82, 2022
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6QW2
 | | The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION | | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2019-03-05 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
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7P7H
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8DYU
 | | Structure of human cytoplasmic dynein-1 bound to two Lis1 proteins | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | | Authors: | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | | Deposit date: | 2022-08-05 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1.
Elife, 12, 2023
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6UFX
 | | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | | Descriptor: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Rietz, T.A, Fesik, S.W, Zhao, B. | | Deposit date: | 2019-09-25 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
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6LMK
 | | Cryo-EM structure of the human glucagon receptor in complex with Gs | | Descriptor: | Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B. | | Deposit date: | 2019-12-26 | | Release date: | 2020-04-01 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
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