8PQX
 
 | | p97 (VCP) mutant - F539A state III | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2023-07-12 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | p97 (VCP) mutant - F539A state III
To Be Published
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8K20
 | | Cryo-EM structure of KEOPS complex from Arabidopsis thaliana | | Descriptor: | At4g34412, At5g53043, FE (III) ION, ... | | Authors: | Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 52, 2024
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8TFF
 | | PorX with BeF3 phosphate analog | | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | | Authors: | Saran, A, Zeytuni, N. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | PorX with BeF3 phosphate analog
To Be Published
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8TFM
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8TF3
 | | Wildtype rabbit TRPV5 into nanodiscs in complex with econazole | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, ERGOSTEROL, ... | | Authors: | De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | | Deposit date: | 2023-07-07 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural mechanism of TRPV5 inhibition by econazole.
Structure, 32, 2024
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8TF2
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8TF4
 | | Wildtype rabbit TRPV5 into nanodiscs in the presence of PI(4,5)P2 and econazole | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, ERGOSTEROL, ... | | Authors: | De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | | Deposit date: | 2023-07-07 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural mechanism of TRPV5 inhibition by econazole.
Structure, 32, 2024
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8PPL
 | | MERS-CoV Nsp1 bound to the human 43S pre-initiation complex | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. | | Deposit date: | 2023-07-07 | | Release date: | 2023-10-18 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
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8JZZ
 | | Structure of human C5a-desArg bound human C5aR1 in complex with Go | | Descriptor: | Antibody fragment ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | | Authors: | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | | Deposit date: | 2023-07-06 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
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8TEF
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8TED
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8TDU
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | Deposit date: | 2023-07-05 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
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8JZJ
 | | E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | | Authors: | Jang, K, Hlaing, S.H.S, Kim, H.G, Kim, N, Choe, H.W, Kim, Y.J. | | Deposit date: | 2023-07-05 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate
To Be Published
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8JZK
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8POK
 | | Cryo-EM structure of cell-free synthesized human histamine H2 receptor coupled to heterotrimeric Gs protein in lipid environment | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, HISTAMINE, ... | | Authors: | Schnelle, K, Koeck, Z, Persechino, M, Umbach, S, Schihada, H, Januliene, D, Parey, K, Pockes, S, Kolb, P, Doetsch, V, Moeller, A, Hilger, D, Bernhard, F. | | Deposit date: | 2023-07-05 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of cell-free synthesized human histamine 2 receptor/G s complex in nanodisc environment.
Nat Commun, 15, 2024
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8POL
 | | Crystal structure of Plasmodium falciparum Sub1 protease | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Subtilisin-like protease 1 | | Authors: | Martinez, M, Bouillon, A, Haouz, A, Barale, J.C, Alzari, P.M. | | Deposit date: | 2023-07-05 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress.
Mbio, 15, 2024
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8JZ7
 | | Cryo-EM structure of MK-6892-bound HCAR2 in complex with Gi protein | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-07-04 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Orthosteric ligand selectivity and allosteric probe dependence at Hydroxycarboxylic acid receptor HCAR2.
Signal Transduct Target Ther, 8, 2023
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8POD
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 | | Descriptor: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine, Activin receptor type-1, FLUORIDE ION, ... | | Authors: | Cros, J, Baltanas-Copado, J, Knapp, S, Paruch, K, Nemec, N, Bullock, A.N. | | Deposit date: | 2023-07-04 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700
To Be Published
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8JYH
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid C | | Descriptor: | 7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... | | Authors: | Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
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8JYJ
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid A | | Descriptor: | 7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ... | | Authors: | Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
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8JYI
 | | Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E | | Descriptor: | 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,Ribonuclease H, ... | | Authors: | Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
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8JY5
 | | Cryo-EM structure of human ABC transporter ABCC2 in apo" state | | Descriptor: | ATP-binding cassette sub-family C member 2 | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-07-03 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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8JY4
 | | Cryo-EM structure of human ABC transporter ABCC2 in apo' state | | Descriptor: | ATP-binding cassette sub-family C member 2 | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-07-02 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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