7ZJD
 
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7DSS
 | | Complex of FMDV and M8 Nab | | Descriptor: | M8 Nab, VP1 of O type FMDV capsid, VP2 of O-type FMDV capsid, ... | | Authors: | Dong, H, Liu, P. | | Deposit date: | 2021-01-02 | | Release date: | 2021-03-31 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
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7DST
 | | FMDV capsid in complex with M170 Nab | | Descriptor: | M170 Nab, VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, ... | | Authors: | Dong, H, Liu, P. | | Deposit date: | 2021-01-02 | | Release date: | 2021-03-10 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
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7Y50
 | | Class I diterpene synthase (CyS) from Streptomyces cattleya | | Descriptor: | Putative glutamate dehydrogenase/leucine dehydrogenase | | Authors: | Xing, B, Ma, M. | | Deposit date: | 2022-06-16 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y87
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7Y88
 | | class I diterpene synthase (CyS-GGPP-Mg2+) from Streptomyces cattleya | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, MAGNESIUM ION, Putative glutamate dehydrogenase/leucine dehydrogenase | | Authors: | Xing, B, Ma, M. | | Deposit date: | 2022-06-23 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7DF1
 | | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | | Deposit date: | 2020-11-06 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice.
Nat Biomed Eng, 2022
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5YE9
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.876 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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5YE7
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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5YE8
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide, Platelet-activating factor acetylhydrolase | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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6DLG
 | | Crystal structure of a SHIP1 surface entropy reduction mutant | | Descriptor: | ISOPROPYL ALCOHOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Gardill, B.R, Cheung, S.T, Mui, A.L, Van Petegem, F. | | Deposit date: | 2018-06-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Interleukin-10 and Small Molecule SHIP1 Allosteric Regulators Trigger Anti-Inflammatory Effects Through SHIP1/STAT3 Complexes
Biorxiv, 2020
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5YEA
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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7RGK
 | | DfrA5 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase type 5, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7RGO
 | | DfrA5 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase type 5, GLYCEROL, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7RGJ
 | | DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, CALCIUM ION, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7R6G
 | | Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | | Descriptor: | Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7REB
 | | E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7REG
 | | DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, CALCIUM ION, Dihydrofolate reductase type 1, ... | | Authors: | Lombardo, M.N, Wright, D.L. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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5YYL
 | | Structure of Major Royal Jelly Protein 1 Oligomer | | Descriptor: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tian, W, Chen, Z. | | Deposit date: | 2017-12-10 | | Release date: | 2018-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Architecture of the native major royal jelly protein 1 oligomer.
Nat Commun, 9, 2018
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4ALA
 | | Structure of Dengue virus DIII in complex with Fab 2H12 | | Descriptor: | ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ... | | Authors: | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
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4AL8
 | | Structure of Dengue virus DIII in complex with Fab 2H12 | | Descriptor: | ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ... | | Authors: | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | | Deposit date: | 2012-03-02 | | Release date: | 2012-06-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
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7SEG
 | | Crystal structure of the complex of CD16A bound by an anti-CD16A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Kiefer, J.R, Wallweber, H.A, Polson, A.G. | | Deposit date: | 2021-09-30 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
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4AM0
 | | Structure of Dengue virus strain 4 DIII in complex with Fab 2H12 | | Descriptor: | ENVELOPE PROTEIN,, FAB 2H12, HEAVY CHAIN, ... | | Authors: | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | | Deposit date: | 2012-03-06 | | Release date: | 2012-06-06 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
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6M07
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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6M06
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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