8TKZ
 
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6RZ2
 | | SalL with Chloroadenosine | | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | | Deposit date: | 2019-06-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5UDG
 | | Mutant E97Q crystal structure of Bacillus subtilis QueF with a disulfide Cys 55-99 | | Descriptor: | MAGNESIUM ION, NADPH-dependent 7-cyano-7-deazaguanine reductase, TRIETHYLENE GLYCOL | | Authors: | Mohammad, A, Kiani, M.K, Iwata-Reuyl, D, Stec, B, Swairjo, M. | | Deposit date: | 2016-12-27 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Protection of the Queuosine Biosynthesis Enzyme QueF from Irreversible Oxidation by a Conserved Intramolecular Disulfide.
Biomolecules, 7, 2017
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6S0X
 | | Erythromycin Resistant Staphylococcus aureus 70S ribosome (delta R88 A89 uL22) in complex with erythromycin. | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | | Deposit date: | 2019-06-18 | | Release date: | 2019-08-21 | | Method: | ELECTRON MICROSCOPY (2.425 Å) | | Cite: | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant.
Sci Rep, 9, 2019
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8Q71
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
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6S5A
 | | CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | | Deposit date: | 2019-07-01 | | Release date: | 2019-09-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation.
Protein Eng.Des.Sel., 32, 2019
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6RVG
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5MDL
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | | Authors: | Kalms, J, Schmidt, A, Scheerer, P. | | Deposit date: | 2016-11-11 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3NAV
 | | Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961 | | Descriptor: | 1,2-ETHANEDIOL, Tryptophan synthase alpha chain | | Authors: | Nocek, B, Makowska-Grzyska, M, Kwon, K, Anderson, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961
To be Published
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6RKB
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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8TKB
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5CAC
 | | REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | CARBONIC ANHYDRASE FORM C, SULFITE ION, ZINC ION | | Authors: | Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A. | | Deposit date: | 1991-09-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
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6RKP
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | | Descriptor: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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5MSB
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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1IPW
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5MIK
 | | X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
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5MJB
 | | Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | | Deposit date: | 2016-11-30 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases.
ACS Chem. Biol., 12, 2017
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5MFU
 | | PA3825-EAL Mn-pGpG Structure | | Descriptor: | Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | Deposit date: | 2016-11-18 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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8POG
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8POC
 | | Cryo-EM structure of Dickeya dadantii BcsD | | Descriptor: | Cellulose synthase operon protein D | | Authors: | Notopoulou, A, Krasteva, P.V. | | Deposit date: | 2023-07-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures and roles of BcsD and partner scaffold proteins in proteobacterial cellulose secretion.
Curr.Biol., 34, 2024
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6RUK
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6RUW
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5MJA
 | | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | | Deposit date: | 2016-11-30 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases.
ACS Chem. Biol., 12, 2017
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5MJP
 | | Multi-bunch pink beam serial crystallography: Phycocyanin (One chip) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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6RW4
 | | Structure of human mitochondrial 28S ribosome in complex with mitochondrial IF3 | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2019-06-03 | | Release date: | 2020-06-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Distinct pre-initiation steps in human mitochondrial translation.
Nat Commun, 11, 2020
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