7ZJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zjd by Molmil](/molmil-images/mine/7zjd) | |
7DSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dss by Molmil](/molmil-images/mine/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
|
|
7DST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dst by Molmil](/molmil-images/mine/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
|
|
7Y50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y50 by Molmil](/molmil-images/mine/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
|
|
7Y87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y87 by Molmil](/molmil-images/mine/7y87) | |
7Y88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y88 by Molmil](/molmil-images/mine/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
|
|
7DF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7df1 by Molmil](/molmil-images/mine/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
|
|
5YE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ye9 by Molmil](/molmil-images/mine/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
|
|
5YE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ye7 by Molmil](/molmil-images/mine/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
|
|
5YE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ye8 by Molmil](/molmil-images/mine/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
|
|
6DLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dlg by Molmil](/molmil-images/mine/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
|
|
5YEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yea by Molmil](/molmil-images/mine/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
|
|
7RGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rgk by Molmil](/molmil-images/mine/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
|
|
7RGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rgo by Molmil](/molmil-images/mine/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
|
|
7RGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rgj by Molmil](/molmil-images/mine/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
|
|
7R6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r6g by Molmil](/molmil-images/mine/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
|
|
7REB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7reb by Molmil](/molmil-images/mine/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
|
|
7REG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7reg by Molmil](/molmil-images/mine/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
|
|
5YYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yyl by Molmil](/molmil-images/mine/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
|
|
4ALA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ala by Molmil](/molmil-images/mine/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
|
|
4AL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4al8 by Molmil](/molmil-images/mine/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
|
|
7SEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7seg by Molmil](/molmil-images/mine/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
|
|
4AM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4am0 by Molmil](/molmil-images/mine/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
|
|
6M07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m07 by Molmil](/molmil-images/mine/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
|
|
6M06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m06 by Molmil](/molmil-images/mine/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
|
|