8PLZ
| Cryo-EM structure of CAK in complex with inhibitor CT7030 | Descriptor: | (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-06-27 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8JUU
| rat megalin | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-27 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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8PKM
| Befiradol-bound serotonin 5-HT1A receptor - Gi Protein Complex | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone, 5-hydroxytryptamine receptor 1A, ... | Authors: | Schneider, J, Gmeiner, P, Hove, T.T, Rasmussen, T, Boettcher, B. | Deposit date: | 2023-06-27 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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8TAH
| Cryo-EM structure of Cortactin-bound to Arp2/3 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ... | Authors: | Fregoso, F.E, van Eeuwen, T, Dominguez, R. | Deposit date: | 2023-06-27 | Release date: | 2023-09-27 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Mechanism of synergistic activation of Arp2/3 complex by cortactin and WASP-family proteins. Nat Commun, 14, 2023
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8JUA
| Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-26 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.00001121 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JU5
| Structure of human TRPV4 with antagonist A1 | Descriptor: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 11, 2024
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8JU6
| Structure of human TRPV4 with antagonist GSK279 | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-24 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 11, 2024
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8PJJ
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8T9B
| Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2 | Descriptor: | CK variant of Fab F1 heavy chain, CK variant of Fab F1 light chain, Ephrin type-A receptor 2 | Authors: | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-06-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Engineered Antigen-binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes To be Published
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8JU0
| hOCT1 in complex with spironolactone in inward facing occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-23 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8PJK
| ST171-bound serotonin 5-HT1A receptor - Gi Protein Complex | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 5-hydroxytryptamine receptor 1A, 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one, ... | Authors: | Schneider, J, Gmeiner, P, Rasmussen, T, Boettcher, B. | Deposit date: | 2023-06-23 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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8PJB
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8PJH
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8PJC
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8T8Q
| Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-23 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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8PIV
| Homomeric GluA2 flip R/G-unedited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor, ... | Authors: | Zhang, D, Krieger, J.M, Yamashita, K, Greger, I.H. | Deposit date: | 2023-06-22 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor. Nature, 621, 2023
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7G84
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G86
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1137725943 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(1H-indol-4-yl)methyl]ethanamine, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8H
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782 | Descriptor: | 5-methoxy-1H-pyrrolo[3,2-b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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7G8I
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198316457 | Descriptor: | 4,4-difluorocyclohexane-1-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.468 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
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8PIY
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8PIW
| Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-NMet2 | Descriptor: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | Authors: | Alsalman, Z, Girard, E. | Deposit date: | 2023-06-22 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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8PJ2
| Structure of human 48S translation initiation complex in AUG recognition state after eIF5-induced GTP hydrolysis by eIF2 (48S-2) | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N. | Deposit date: | 2023-06-22 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining Nat.Struct.Mol.Biol., 2024
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8PJ3
| Structure of human 48S translation initiation complex upon transfer of initiator tRNA to eIF5B (48S-3) | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N. | Deposit date: | 2023-06-22 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining Nat.Struct.Mol.Biol., 2024
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8PJ1
| Structure of human 48S translation initiation complex in open codon scanning state (48S-1) | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N. | Deposit date: | 2023-06-22 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining Nat.Struct.Mol.Biol., 2024
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