7OC0
 
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid | | Descriptor: | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | | Deposit date: | 2021-04-25 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
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6T8U
 | | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6MTQ
 | | Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold | | Descriptor: | Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold | | Authors: | Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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5K55
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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6NIM
 | | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | | Descriptor: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | | Authors: | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-29 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
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6NI0
 | | Crystal Structure of the Beta Lactamase Class D YbxI from Burkholderia thailandensis | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Kim, Y, Wu, R, Endres, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-25 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Beta Lactamase Class D YbxI from Burkholderia thailandensis
To Be Published
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6TRX
 | | Crystal structure of DPP8 in complex with 1G244 | | Descriptor: | (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 8, PHOSPHATE ION, ... | | Authors: | Ross, B.H, Huber, R. | | Deposit date: | 2019-12-19 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
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6THN
 | | Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E symmetry expansion+2fold focused classification | | Descriptor: | Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ... | | Authors: | Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G. | | Deposit date: | 2019-11-20 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
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5K56
 | | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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1B16
 | | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE | | Descriptor: | NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT, PROTEIN (ALCOHOL DEHYDROGENASE) | | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | | Deposit date: | 1998-11-25 | | Release date: | 1999-11-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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5JU7
 | | DNA BINDING DOMAIN OF E.COLI CADC | | Descriptor: | Transcriptional activator CadC, ZINC ION | | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | | Deposit date: | 2016-05-10 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator.
Sci Rep, 7, 2017
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6X2B
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6X2C
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1W7E
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1W7D
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7CQD
 | | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236 | | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | | Authors: | Tamura-Sakaguchi, R, Aruga, R, Nogi, T. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
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8CGY
 | | Trypanosoma brucei IMP dehydrogenase (ori) crystallized in High Five cells reveals native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo; XDS processing | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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7CQC
 | | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184 | | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | | Authors: | Aruga, R, Tamura-Sakaguchi, R, Nogi, T. | | Deposit date: | 2020-08-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
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8SXJ
 | | CH505 Disulfide Stapled SOSIP Bound to CH235.12 Fab | | Descriptor: | CH235.12 Heavy Chain, CH235.12 Light Chain, Envelope glycoprotein gp160, ... | | Authors: | Henderson, R. | | Deposit date: | 2023-05-22 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
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8SXI
 | | CH505 Disulfide Stapled SOSIP Bound to b12 Fab | | Descriptor: | Envelope glycoprotein gp160, HIV-1 gp41, b12 Heavy Chain, ... | | Authors: | Henderson, R. | | Deposit date: | 2023-05-22 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
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8TOB
 | | Acinetobacter GP16 Type IV pilus | | Descriptor: | Fimbrial protein | | Authors: | Meng, R, Xing, Z, Zhang, J. | | Deposit date: | 2023-08-03 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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8TOC
 | | Acinetobacter phage AP205 | | Descriptor: | Coat protein, Maturation protein, RNA (4269-MER) | | Authors: | Meng, R, Xing, Z, Chang, J, Zhang, J. | | Deposit date: | 2023-08-03 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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5L0A
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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8C4Y
 | | SFX structure of FutA bound to Fe(III) | | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | | Authors: | Bolton, R, Tews, I. | | Deposit date: | 2023-01-05 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
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