7ZSS
| cryo-EM structure of D614 spike in complex with de novo designed binder | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-08 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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4G48
| Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol | Descriptor: | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G4E
| Crystal structure of the L88A mutant of HslV from Escherichia coli | Descriptor: | ATP-dependent protease subunit HslV | Authors: | Lee, J.W, Park, E, Yoo, H.M, Ha, B.H, An, J.Y, Jeon, Y.J, Seol, J.H, Eom, S.H, Chung, C.H. | Deposit date: | 2012-07-16 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.888 Å) | Cite: | Structural Alteration in the Pore Motif of the Bacterial 20S Proteasome Homolog HslV Leads to Uncontrolled Protein Degradation J.Mol.Biol., 425, 2013
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4G9C
| Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | Descriptor: | 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C, Sturgis, H.L. | Deposit date: | 2012-07-23 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4G9Z
| Lassa nucleoprotein with dsRNA reveals novel mechanism for immune suppression | Descriptor: | Nucleoprotein, RNA (5'-R(P*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*C)-3'), ... | Authors: | Jiang, X, Huang, Q, Wang, W, Dong, H, Ly, H, Liang, Y, Dong, C, Scottish Structural Proteomics Facility (SSPF) | Deposit date: | 2012-07-24 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of Arenaviral Nucleoproteins with Triphosphate dsRNA Reveal a Unique Mechanism of Immune Suppression. J.Biol.Chem., 288, 2013
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4GES
| crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation | Descriptor: | Green fluorescent protein | Authors: | Dong, J, Liu, X, Li, J, Wang, J, Gong, W. | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer. Angew.Chem.Int.Ed.Engl., 51, 2012
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7ARJ
| LolCDE in complex with lipoprotein and AMPPNP complex undimerized form | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE. Nat.Struct.Mol.Biol., 28, 2021
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7ARK
| LolCDE in complex with AMP-PNP in the closed NBD state | Descriptor: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE, ... | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE. Nat.Struct.Mol.Biol., 28, 2021
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7ARI
| LolCDE apo structure | Descriptor: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE. Nat.Struct.Mol.Biol., 28, 2021
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4GMK
| Crystal Structure of Ribose 5-Phosphate Isomerase from the Probiotic Bacterium Lactobacillus salivarius UCC118 | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Ribose-5-phosphate isomerase A | Authors: | Lobley, C.M.C, Aller, P, Douangamath, A, Reddivari, Y, Bumann, M, Bird, L.E, Brandao-Neto, J, Owens, R.J, O'Toole, P.W, Walsh, M.A. | Deposit date: | 2012-08-16 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118. Acta Crystallogr.,Sect.F, 68, 2012
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7B73
| Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | Deposit date: | 2020-12-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. Febs J., 288, 2021
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4GLT
| Crystal structure of glutathione s-transferase MFLA_2116 (target EFI-507160) from methylobacillus flagellatus kt with gsh bound | Descriptor: | GLUTATHIONE, Glutathione S-transferase-like protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-14 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of glutathione s-transferase MFLA_2116 (target EFI-507160) from methylobacillus flagellatus kt with gsh bound To be Published
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7ARH
| LolCDE in complex with lipoprotein | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | Deposit date: | 2020-10-25 | Release date: | 2021-04-07 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE. Nat.Struct.Mol.Biol., 28, 2021
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4FUL
| PI3 Kinase Gamma bound to a pyrmidine inhibitor | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | Deposit date: | 2012-06-28 | Release date: | 2012-10-17 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4G2N
| Crystal structure of putative D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding from Polaromonas sp. JS6 66 | Descriptor: | CHLORIDE ION, D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding, ... | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-07-12 | Release date: | 2012-07-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of putative D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding from Polaromonas sp. JS6 66 To be Published
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8A6U
| PcIDS1 in complex with Mg2+ | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A6V
| PcIDS1 in complex with Mg2+ and IPP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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7ZPN
| Crystal Structure of IscR from Dinoroseobacter shibae | Descriptor: | GLYCEROL, HTH-type transcriptional regulator, SULFATE ION | Authors: | Lukat, P, Ploetzky, L, Blankenfeldt, W, Jahn, D, Haertig, E. | Deposit date: | 2022-04-28 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Dinoroseobacter shibae IscR homolog acts as a repressor for iron acquisition genes To Be Published
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4GFP
| 2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in a second conformational state | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, BETA-MERCAPTOETHANOL | Authors: | Light, S.H, Minasov, G, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-03 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in second conformational state TO BE PUBLISHED
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7AEJ
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8A7A
| PcIDS1 in complex with Mg2+ and 3-Br-GPP | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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4FU3
| CID of human RPRD1B | Descriptor: | CHLORIDE ION, Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-28 | Release date: | 2012-08-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CID of human RPRD1B TO BE PUBLISHED
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8A8J
| Complex of RecF and DNA from Thermus thermophilus. | Descriptor: | DNA replication and repair protein RecF, MAGNESIUM ION, Oligo1, ... | Authors: | Nirwal, S, Czarnocki-Cieciura, M, Chaudhary, A, Zajko, W, Skowronek, K, Chamera, S, Figiel, M, Nowotny, M. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of RecF-RecO-RecR cooperation in bacterial homologous recombination. Nat.Struct.Mol.Biol., 30, 2023
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4GJ4
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8A7L
| PcIDS1 in complex with Mg2+, GPP, and ZOL | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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