9DKZ
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9DK4
| ancestral hydroxynitrile lyase with fifteen substitutions | Descriptor: | Fifteen-substitution variant of an ancestral hydroxynitrile lyase, SODIUM ION | Authors: | Sarak, S.C, Tan, P, Evans III, R.L, Shi, K, Kazlauskas, R.J, Aihara, H, Pierce, C.T, Walsh, M.E, Greenberg, L.R. | Deposit date: | 2024-09-07 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | To be published To Be Published
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9DJ9
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in distinct apo form | Descriptor: | Dual specificity protein phosphatase 3 | Authors: | Keedy, D.A, Lemberikman, A.M, Isiorho, E.A, Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2024-09-06 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.924 Å) | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock To Be Published
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9DHJ
| DHODH in complex with Compound 15 | Descriptor: | (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
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9DHI
| DHODH in complex with Compound 7 | Descriptor: | (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
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9DHH
| DHODH in complex with Compound 8 | Descriptor: | (3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
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9DHG
| DHODH in complex with Compound 5 | Descriptor: | (3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
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9DER
| Cryo-EM Structures of Full-Length Integrin alphaIIbbeta3 in Native Lipids Complexed with Tirofiban | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-IIb, ... | Authors: | Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A. | Deposit date: | 2024-08-29 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Platelet integrin alpha IIb beta 3 plays a key role in a venous thrombogenesis mouse model. Nat Commun, 15, 2024
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9DEQ
| Cryo-EM structures of full-length integrin alphaIIbbeta3 in native lipids complexed with modified tirofiban | 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: | Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A. | Deposit date: | 2024-08-29 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Platelet integrin alpha IIb beta 3 plays a key role in a venous thrombogenesis mouse model. Nat Commun, 15, 2024
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9DE2
| ETO2 MYND bound to MPPL peptide from GATAD2A | Descriptor: | GATAD2A-MPPL motif and ETO2 NHR4 domain fusion protein, ZINC ION | Authors: | Williams, D.C. | Deposit date: | 2024-08-28 | Release date: | 2024-09-18 | Method: | SOLUTION NMR | Cite: | The role of multivalency in the association of the eight twenty-one protein 2 (ETO2) with the nucleosome remodeling and deacetylase (NuRD) complex To Be Published
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9DDY
| The Crystal Structure of Geranyltranstransferase from Streptococcus pneumoniae TIGR4 | Descriptor: | GLYCEROL, Geranyltranstransferase | Authors: | Kim, Y, Tan, A, Endres, M, Tan, K, Joachimik, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-08-28 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The Crystal Structure of Geranyltranstransferase from Streptococcus pneumoniae TIGR4 To Be Published
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9DCN
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9DCG
| Crystal Structure of the Thiol:Disulfide Interchange Protein DsbC from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Shatsman, S, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-08-26 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the Thiol:Disulfide Interchange Protein DsbC from Vibrio cholerae To Be Published
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9DB5
| A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D. | Deposit date: | 2024-08-23 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9DAM
| A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion | Descriptor: | ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D. | Deposit date: | 2024-08-22 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9D9X
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9D9W
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9D9M
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9D9L
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9D9K
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9D94
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9D93
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9D91
| Crystal structure of L-asparaginase from Streptococcus pneumoniae TIGR4 | Descriptor: | 1,2-ETHANEDIOL, Asparaginase, SULFATE ION | Authors: | Gade, P, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-08-20 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of L-asparaginase from
Streptococcus pneumoniae TIGR4 To Be Published
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9D8S
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9D8A
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