9C6Q
 
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9C6V
 | | Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (1 molecule/asymmetric unit) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sharma, R, Amdare, N.P, Celikgil, A, Garforth, S.J, DiLorenzo, T.P, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes.
J.Biol.Chem., 300, 2024
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9C6W
 | | Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (2 molecules/asymmetric unit) | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, CHLORIDE ION, ... | | Authors: | Sharma, R, Amdare, N.P, Celikgil, A, Garforth, S.J, DiLorenzo, T.P, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes.
J.Biol.Chem., 300, 2024
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9C6X
 | | Crystal Structure of a single chain trimer composed of HLA-B*39:01 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, NACHT, ... | | Authors: | Sharma, R, Amdare, N.P, Celikgil, A, Garforth, S.J, DiLorenzo, T.P, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes.
J.Biol.Chem., 300, 2024
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9C9V
 | | HBV capsid with compound 3i | | Descriptor: | Capsid protein, N'-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-N-[(1R)-1-(1-oxo-1,2-dihydroisoquinolin-4-yl)ethyl]urea | | Authors: | Olland, A.M, Suto, R.K, Fontano, E, Colussi, T. | | Deposit date: | 2024-06-16 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Rational Design, Synthesis, and Structure-Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836.
J.Med.Chem., 67, 2024
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9CD5
 | | FGFR1 Kinase Domain Soak with Inhibitor TYRA-300 | | Descriptor: | (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, ... | | Authors: | Hoffman, I.H, Nelson, K.J, Rideout, M.C, Frye, C, Bensen, D.C, Hudkins, R.L. | | Deposit date: | 2024-06-24 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
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9CD7
 | | FGFR3 Kinase Domain with Inhibitor TYRA-300 | | Descriptor: | (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, Fibroblast growth factor receptor 3, GLYCEROL, ... | | Authors: | Hoffman, I.H, Nelson, K.J, Rideout, M.C, Nix, J.C, Frye, C, Bensen, D.C, Hudkins, R.L. | | Deposit date: | 2024-06-24 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
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9CE4
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6 | | Descriptor: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L, Zebisch, M, Henry, C, Barker, J.J. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
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9CER
 | | Guillardia theta Fanzor (GtFz) State 1 | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Guillardia theta Fanzor1, RNA (142-MER), ZINC ION | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CES
 | | Guillardia theta Fanzor (GtFz) State 2 | | Descriptor: | DNA (5'-D(P*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*TP*AP*AP*AP*GP*GP*CP*CP*CP*CP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*GP*GP*GP*GP*CP*CP*TP*TP*TP*AP*AP*G)-3'), Maltose/maltodextrin-binding periplasmic protein,Guillardia theta Fanzor1, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CET
 | | Guillardia theta Fanzor (GtFz) State 3 | | Descriptor: | DNA (28-MER), DNA (5'-D(P*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*TP*AP*AP*AP*GP*GP*CP*CP*CP*CP*GP*GP*G)-3'), Maltose/maltodextrin-binding periplasmic protein,Guillardia theta Fanzor1, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEU
 | | Spizellomyces punctatus Fanzor (SpuFz) State 1 | | Descriptor: | DNA (5'-D(P*CP*CP*TP*AP*TP*AP*GP*AP*TP*AP*TP*GP*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*GP*GP*GP*CP*AP*TP*A)-3'), Maltose/maltodextrin-binding periplasmic protein,Spizellomyces punctatus Fanzor 1, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEV
 | | Spizellomyces punctatus Fanzor (SpuFz) State 2 | | Descriptor: | DNA (35-MER), DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*GP*GP*GP*CP*AP*TP*A)-3'), MAGNESIUM ION, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEW
 | | Spizellomyces punctatus Fanzor (SpuFz) State 3 | | Descriptor: | DNA (29-MER), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*GP*GP*GP*CP*AP*TP*A)-3'), ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEX
 | | Spizellomyces punctatus Fanzor (SpuFz) State 4 | | Descriptor: | DNA (29-MER), DNA (5'-D(*(MG)*(MG)P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*GP*GP*GP*CP*AP*TP*A)-3'), ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEY
 | | Spizellomyces punctatus Fanzor (SpuFz) State 5 | | Descriptor: | DNA (26-MER), DNA (36-MER), MAGNESIUM ION, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CEZ
 | | Spizellomyces punctatus Fanzor (SpuFz) State 6 | | Descriptor: | DNA (27-MER), DNA (5'-D(P*TP*AP*CP*CP*CP*GP*GP*GP*CP*AP*TP*A)-3'), MAGNESIUM ION, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CF0
 | | Parasitella parasitica Fanzor (PpFz) State 1 | | Descriptor: | DNA non-target strand, DNA target strand, Maltose/maltodextrin-binding periplasmic protein,Parasitella parasitica Fanzor 1, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CF1
 | | Parasitella parasitica Fanzor (PpFz) State 2 | | Descriptor: | DNA non-target strand, DNA target strand, Maltose/maltodextrin-binding periplasmic protein,Parasitella parasitica Fanzor 1, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CF2
 | | Parasitella parasitica Fanzor (PpFz) State 3 | | Descriptor: | DNA non-target strand, DNA substrate model, DNA target strand, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CF3
 | | Parasitella parasitica Fanzor (PpFz) State 4 | | Descriptor: | DNA non-target strand, DNA target strand, MAGNESIUM ION, ... | | Authors: | Xu, P, Saito, M, Zhang, F. | | Deposit date: | 2024-06-27 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 187, 2024
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9CGX
 | | Alzheimer's Disease Seeded 0N3R Tau Fibrils | | Descriptor: | Isoform Fetal-tau of Microtubule-associated protein tau | | Authors: | Duan, P, Dregni, A.J, Xu, H, Changolkar, L, Lee, V.M.-Y, Hong, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Alzheimer's disease seeded tau forms paired helical filaments yet lacks seeding potential.
J.Biol.Chem., 300, 2024
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9CGZ
 | | Alzheimer's Disease Seeded Mixed 0N4R and 0N3R Tau Fibrils | | Descriptor: | Isoform Fetal-tau of Microtubule-associated protein tau | | Authors: | Duan, P, Dregni, A.J, Xu, H, Changolkar, L, Lee, V.M.-Y, Hong, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Alzheimer's disease seeded tau forms paired helical filaments yet lacks seeding potential.
J.Biol.Chem., 300, 2024
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9CSG
 | | Human Serum Albumin Bound to Cerastecin Compound 5e | | Descriptor: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID | | Authors: | Hruza, A, Klein, D.J, Ishchenko, A. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | Descriptor: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | Authors: | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
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