7Z3E
| XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with hydroquinone NrdI from Bacillus cereus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, MANGANESE (II) ION, Protein NrdI, ... | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | Deposit date: | 2022-03-02 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography. Elife, 11, 2022
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7Z3D
| XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with oxidized NrdI from Bacillus cereus | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein NrdI, ... | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | Deposit date: | 2022-03-02 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography. Elife, 11, 2022
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7O10
| ABC transporter NosDFY, nucleotide-free in GDN, R-domain 2 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O17
| ABC transporter NosDFY E154Q, ATP-bound in lipid nanodisc | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O11
| ABC transporter NosDFY, nucleotide-free in GDN, R-domain 1 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O0I
| Vibrio vulnificus stressosome | Descriptor: | Anti-anti-sigma factor, RsbS, negative regulator of sigma-B | Authors: | Kaltwasser, S, Heinz, V, Madej, M.G, Pane-Farre, J, Ziegler, C. | Deposit date: | 2021-03-26 | Release date: | 2022-04-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | The Vibrio vulnificus stressosome is an oxygen-sensor involved in regulating iron metabolism Commun Biol, 2022
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7O83
| KRasG12C ligand complex | Descriptor: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C, Breed, J. | Deposit date: | 2021-04-14 | Release date: | 2022-04-20 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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1ZN0
| Coordinates of RRF and EF-G fitted into Cryo-EM map of the 50S subunit bound with both EF-G (GDPNP) and RRF | Descriptor: | 16S RIBOSOMAL RNA, ELONGATION FACTOR G, Ribosome recycling factor | Authors: | Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (15.5 Å) | Cite: | Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies. Mol.Cell, 18, 2005
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8AEB
| SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ... | Authors: | Hanoulle, X, Charton, J, Deprez, B. | Deposit date: | 2022-07-12 | Release date: | 2023-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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5CNB
| Ultrafast dynamics in myoglobin: 0.5 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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2B34
| Structure of MAR1 Ribonuclease from Caenorhabditis elegans | Descriptor: | MAR1 Ribonuclease | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans To be Published
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8ASU
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8ASR
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8AMH
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8AST
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8ASS
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8AN6
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6T1R
| Pseudo-atomic model of a 16-mer assembly of reduced recombinant human alphaA-crystallin (non domain swapped configuration) | Descriptor: | Alpha-crystallin A chain | Authors: | Peters, C, Kaiser, C.J.O, Weinkauf, S, Zacharias, M, Buchner, J. | Deposit date: | 2019-10-05 | Release date: | 2019-12-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | The structure and oxidation of the eye lens chaperone alpha A-crystallin. Nat.Struct.Mol.Biol., 26, 2019
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4IXR
| RT fs X-ray diffraction of Photosystem II, first illuminated state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | Deposit date: | 2013-01-27 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.9 Å) | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science, 340, 2013
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2B5W
| Crystal structure of D38C glucose dehydrogenase mutant from Haloferax mediterranei | Descriptor: | CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W. | Deposit date: | 2005-09-29 | Release date: | 2006-04-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7O0Z
| ABC transporter NosFY, nucleotide-free in GDN | Descriptor: | Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter permease protein NosY | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-11-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O13
| ABC transporter NosDFY, nucleotide-free in lipid nanodisc | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-11-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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1XKQ
| Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234) | Authors: | Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-29 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor To be Published
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3BV9
| Structure of Thrombin Bound to the Inhibitor FM19 | Descriptor: | FM19 inhibitor, GLYCEROL, IODIDE ION, ... | Authors: | Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H. | Deposit date: | 2008-01-05 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo. J.Thromb.Haemost., 6, 2008
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6G01
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