8TR4
 
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8VK2
 | | X-ray crystal structure of human IgE 4C8 Fab | | Descriptor: | IgE 4C8 heavy chain, IgE 4C8 light chain | | Authors: | Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M. | | Deposit date: | 2024-01-08 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.508 Å) | | Cite: | Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2.
J.Allergy Clin.Immunol., 2024
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8VK1
 | | X-ray crystal structure of human IgE 4C8 Fab complex with Der p 2.0103 | | Descriptor: | Der p 2 variant 3, IgE 4C8 heavy chain, IgE 4C8 light chain | | Authors: | Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M. | | Deposit date: | 2024-01-08 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2.
J.Allergy Clin.Immunol., 2024
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7S2Y
 | | SAMHD1 HD domain bound to CNDAC | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Digianantonio, K.M, Xiong, Y. | | Deposit date: | 2021-09-04 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells.
J Exp Clin Cancer Res, 40, 2021
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7S7Q
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7S7R
 | | Plasmodium falciparum protein Pf12 bound to nanobody G7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Merozoite surface protein P12, Nanobody G7, ... | | Authors: | Dietrich, M.H, Tham, W.H. | | Deposit date: | 2021-09-17 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure of the Pf12 and Pf41 heterodimeric complex of Plasmodium falciparum 6-cysteine proteins.
FEMS Microbes, 3, 2022
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7RU1
 | | SARS-CoV-2-6P-Mut7 S protein (C3 symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RU4
 | | CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.33 IgG heavy chain Fv, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RU8
 | | CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RU3
 | | CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RU2
 | | SARS-CoV-2-6P-Mut7 S protein (asymmetric) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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7RU5
 | | CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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8TUH
 | | HLA B7:02 with RPIIRPATL | | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.200106 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
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8TUB
 | | HLA B7:02 with HPNGYKSLSTL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
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9EZX
 | | Vibrio cholerae DdmD apo complex | | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | | Authors: | Loeff, L, Jinek, M. | | Deposit date: | 2024-04-14 | | Release date: | 2024-06-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Molecular mechanism of plasmid elimination by the DdmDE defense system.
Science, 2024
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8VY6
 | | Murine light chain dimer | | Descriptor: | 6A8 light chain, SULFATE ION | | Authors: | Kapingidza, A.B, Dolamore, C, Hyduke, N.P, Easly, W, Chivv, C, Pomes, A, Chruszcz, M. | | Deposit date: | 2024-02-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural, Biophysical, and Computational Studies of a Murine Light Chain Dimer.
Molecules, 29, 2024
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | Deposit date: | 2023-11-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
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2P27
 | | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution | | Descriptor: | MAGNESIUM ION, Pyridoxal phosphate phosphatase | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-07 | | Release date: | 2007-03-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2OYC
 | | Crystal structure of human pyridoxal phosphate phosphatase | | Descriptor: | Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2P69
 | | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP | | Descriptor: | CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate phosphatase | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-16 | | Release date: | 2007-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2QJC
 | | Crystal structure of a putative diadenosine tetraphosphatase | | Descriptor: | Diadenosine tetraphosphatase, putative, MANGANESE (II) ION, ... | | Authors: | Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-07-06 | | Release date: | 2007-07-24 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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1HCV
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4TN4
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | | Descriptor: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | | Deposit date: | 2014-06-03 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
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1H2O
 | | SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W | | Descriptor: | MAJOR ALLERGEN PRU AV 1 | | Authors: | Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P. | | Deposit date: | 2002-08-12 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
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4TMR
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | | Descriptor: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | | Deposit date: | 2014-06-02 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
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