5D6Q
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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8IQH
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5D7C
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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8IQB
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8D1E
| hBest2 1uM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.78 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8IQD
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8D1F
| hBest2 5mM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.82 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8IQC
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8D1J
| hBest1 5mM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.05 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8IQI
| Structure of Full-Length AsfvPrimPol in Complex-Form | Descriptor: | DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Shao, Z.W, Su, S.C, Gan, J.H. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structures and implications of the C962R protein of African swine fever virus. Nucleic Acids Res., 51, 2023
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8D1L
| hBest1 Ca2+-bound partially open aperture state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.12 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1M
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8D1H
| hBest2 Ca2+-unbound closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.94 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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7VP9
| Crystal structure of human ClpP in complex with ZG111 | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2021-10-15 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma. Cell Chem Biol, 29, 2022
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7VWZ
| Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Feng, Y, Shi, J. | Deposit date: | 2021-11-12 | Release date: | 2022-06-08 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator. Nucleic Acids Res., 50, 2022
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7VWY
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3CCN
| X-ray structure of c-Met with triazolopyridazine inhibitor. | Descriptor: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | Authors: | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | Deposit date: | 2008-02-26 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase. J.Med.Chem., 51, 2008
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7VEH
| Type I-F Anti-CRISPR protein AcrIF13 | Descriptor: | AcrIF13 | Authors: | Gao, T, Feng, Y. | Deposit date: | 2021-09-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13. J.Biol.Chem., 298, 2022
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7VLN
| NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | Deposit date: | 2021-10-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
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7U0D
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7MMO
| LY-CoV1404 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants. Biorxiv, 2022
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3HGB
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7E7Y
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7E7X
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7E8C
| SARS-CoV-2 S-6P in complex with 9 Fabs | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | Authors: | Du, S, Xiao, J, Zhang, Z. | Deposit date: | 2021-03-01 | Release date: | 2021-06-09 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021
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