8FJ8
| Crystal structure of Mn(2+),Ca(2+)-S100B | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-B | Authors: | Hunter, D.A. | Deposit date: | 2022-12-19 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural insights into ions binding to S100A1 versus S100B To Be Published
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8FJ3
| Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A) | Descriptor: | C-C motif chemokine 7, Evasin P1243 | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2022-12-19 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
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8FJ0
| Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 | Descriptor: | C-C motif chemokine 2, Evasin P1243 | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | Deposit date: | 2022-12-18 | Release date: | 2023-03-29 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun, 14, 2023
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8FID
| Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FIB
| Crystal Structure of Erwinia tracheiphila CYP114 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HS2
| Orphan GPR20 in complex with Fab046 | Descriptor: | Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046 | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8FIE
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8HS3
| Gi bound orphan GPR20 in ligand-free state | Descriptor: | Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8FIC
| Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 1) | Descriptor: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stewart Jr, C.E, Nagel, R. | Deposit date: | 2022-12-16 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HRZ
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8C0F
| Tubulin-PTC596 complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | Authors: | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | Deposit date: | 2022-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1005 Å) | Cite: | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent Mol Cancer Ther, 20, 2021
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8BZP
| JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery. J.Med.Chem., 66, 2023
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8FHS
| Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-12-15 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine. Cell, 186, 2023
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8HRR
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8HRT
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8HRO
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8HRQ
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8HRS
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8HRP
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8BZO
| Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B | Authors: | Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E. | Deposit date: | 2022-12-15 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1. Sci Rep, 13, 2023
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8BYQ
| RNA polymerase II pre-initiation complex with the proximal +1 nucleosome (PIC-Nuc10W) | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | Deposit date: | 2022-12-14 | Release date: | 2023-05-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome. Mol.Cell, 83, 2023
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8FHH
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8FHI
| Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), ... | Authors: | De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-14 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A. Nat Commun, 14, 2023
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8FHK
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8FHM
| RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U) | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | Authors: | Park, G, Cummins, C. | Deposit date: | 2022-12-14 | Release date: | 2023-12-20 | Last modified: | 2024-08-07 | Method: | SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION | Cite: | Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A. Acs Cent.Sci., 10, 2024
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