7Q0Q
| Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-16 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
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6NI7
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6NRU
| Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ... | Authors: | Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-24 | Release date: | 2019-03-06 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri To Be Published
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6NPQ
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8D3U
| Human alpha3 Na+/K+-ATPase in its Na+-occluded state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, ... | Authors: | Nguyen, P.T, Bai, X. | Deposit date: | 2022-06-01 | Release date: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis for gating mechanism of the human sodium-potassium pump. Nat Commun, 13, 2022
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6NIA
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6JIA
| Marine bacterial laminarinase mutant E135A complex with laminaritetraose | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | Authors: | Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L. | Deposit date: | 2019-02-20 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase. Appl.Environ.Microbiol., 86, 2020
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6NHG
| Rhodobacter sphaeroides Mitochondrial respiratory chain complex | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Xia, D, Zhou, F, Esser, L. | Deposit date: | 2018-12-21 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
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6NLN
| 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | Descriptor: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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4Z7O
| Integrin alphaIIbbeta3 in complex with AGDV peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2016-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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6NLM
| 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | Descriptor: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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7PLJ
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7QLL
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6NIQ
| Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Kim, Y, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-31 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris To Be Published
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7QLI
| Cis structure of rsKiiro at 290 K | Descriptor: | GLYCEROL, SULFATE ION, rsKiiro | Authors: | van Thor, J.J, Baxter, J.M. | Deposit date: | 2021-12-20 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.155 Å) | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein. Nat.Chem., 15, 2023
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7QLK
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6O3F
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4Z7N
| Integrin alphaIIbbeta3 in complex with AGDV peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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6U3F
| Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Panton-Valentine Leucocidin F, SULFATE ION, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-21 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6K0U
| Catalytic domain of GH87 alpha-1,3-glucanase D1068A in complex with tetrasaccharides | Descriptor: | Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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6NI9
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7QGA
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6U2S
| Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | Descriptor: | Bi-component leukocidin LukED subunit D, fos-choline-14 | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | Deposit date: | 2019-08-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. J.Biol.Chem., 295, 2020
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6NOU
| An scFv derived from ixekizumab | Descriptor: | GLYCEROL, scFv derived from ixekizumab | Authors: | Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S. | Deposit date: | 2019-01-16 | Release date: | 2019-06-19 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.914 Å) | Cite: | Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease. Mabs, 11, 2019
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5E1K
| Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia SAD data | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin. Acta Crystallogr D Struct Biol, 72, 2016
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