7E3X
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![BU of 7e3x by Molmil](/molmil-images/mine/7e3x) | Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S. | Deposit date: | 2021-02-09 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters Catalysis Science And Technology, 2021
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7XMZ
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![BU of 7xmz by Molmil](/molmil-images/mine/7xmz) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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7XMX
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![BU of 7xmx by Molmil](/molmil-images/mine/7xmx) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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1E26
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![BU of 1e26 by Molmil](/molmil-images/mine/1e26) | Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. | Deposit date: | 2000-05-17 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+ Biochemistry, 38, 1999
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8JT8
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![BU of 8jt8 by Molmil](/molmil-images/mine/8jt8) | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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8JT6
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![BU of 8jt6 by Molmil](/molmil-images/mine/8jt6) | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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7XST
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![BU of 7xst by Molmil](/molmil-images/mine/7xst) | |
7YAC
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![BU of 7yac by Molmil](/molmil-images/mine/7yac) | Paltusotine-bound SSTR2-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhao, J, Shao, Z. | Deposit date: | 2022-06-27 | Release date: | 2023-04-19 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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7YAE
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![BU of 7yae by Molmil](/molmil-images/mine/7yae) | Octreotide-bound SSTR2-Gi complex | Descriptor: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, J, Shao, Z. | Deposit date: | 2022-06-28 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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4LA3
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![BU of 4la3 by Molmil](/molmil-images/mine/4la3) | |
7FG9
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![BU of 7fg9 by Molmil](/molmil-images/mine/7fg9) | Alpha-1,2-glucosyltransferase_UDP_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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7FGA
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![BU of 7fga by Molmil](/molmil-images/mine/7fga) | Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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4LA2
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![BU of 4la2 by Molmil](/molmil-images/mine/4la2) | Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION | Authors: | Zhang, Y, Li, C. | Deposit date: | 2013-06-19 | Release date: | 2014-01-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide Proc.Natl.Acad.Sci.USA, 111, 2014
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7DX4
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![BU of 7dx4 by Molmil](/molmil-images/mine/7dx4) | The structure of FC08 Fab-hA.CE2-RBD complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ... | Authors: | Cao, L, Wang, X. | Deposit date: | 2021-01-18 | Release date: | 2021-04-21 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2. Natl Sci Rev, 8, 2021
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7D4G
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7D7L
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![BU of 7d7l by Molmil](/molmil-images/mine/7d7l) | The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 | Descriptor: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ... | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2020-10-04 | Release date: | 2021-04-21 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors. Protein Cell, 12, 2021
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7D7K
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![BU of 7d7k by Molmil](/molmil-images/mine/7d7k) | The crystal structure of SARS-CoV-2 papain-like protease in apo form | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2020-10-04 | Release date: | 2021-04-21 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors. Protein Cell, 12, 2021
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6K1Z
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![BU of 6k1z by Molmil](/molmil-images/mine/6k1z) | Crystal structure of farnesylated hGBP1 | Descriptor: | FARNESYL, Guanylate-binding protein 1 | Authors: | Du, S, Xiao, J.Y. | Deposit date: | 2019-05-13 | Release date: | 2019-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8. Plos Pathog., 15, 2019
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6K2D
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![BU of 6k2d by Molmil](/molmil-images/mine/6k2d) | The crystal structure of GBP1 with LRR domain of IpaH9.8 | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8, Guanylate-binding protein 1 | Authors: | Ji, C.G, Xiao, J.Y. | Deposit date: | 2019-05-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8. Plos Pathog., 15, 2019
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3A1Y
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![BU of 3a1y by Molmil](/molmil-images/mine/3a1y) | The structure of archaeal ribosomal stalk P1/P0 complex | Descriptor: | 50S ribosomal protein P1 (L12P), Acidic ribosomal protein P0 | Authors: | Naganuma, T, Yao, M, Nomura, N, Yu, J, Uchiumi, T, Tanaka, I. | Deposit date: | 2009-04-25 | Release date: | 2009-11-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for translation factor recruitment to the eukaryotic/archaeal ribosomes J.Biol.Chem., 285, 2010
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7YFK
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![BU of 7yfk by Molmil](/molmil-images/mine/7yfk) | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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7XXY
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![BU of 7xxy by Molmil](/molmil-images/mine/7xxy) | Macaca mulatta galectin-10/Charcot-Leyden crystal protein with lactose | Descriptor: | Galectin-10/Charcot-Leyden crystal protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y. | Deposit date: | 2022-05-31 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma. Acta Biochim.Biophys.Sin., 55, 2023
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7XXW
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![BU of 7xxw by Molmil](/molmil-images/mine/7xxw) | |
7XXV
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![BU of 7xxv by Molmil](/molmil-images/mine/7xxv) | Macaca fascicularis galectin-10/Charcot-Leyden crystal protein with lactose | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y. | Deposit date: | 2022-05-31 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma. Acta Biochim.Biophys.Sin., 55, 2023
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7XXZ
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![BU of 7xxz by Molmil](/molmil-images/mine/7xxz) | Macaca mulatta galectin-10/Charcot-Leyden crystal protein with glycerol | Descriptor: | GLYCEROL, Galectin-10/Charcot-Leyden crystal protein | Authors: | Su, J.Y. | Deposit date: | 2022-05-31 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma. Acta Biochim.Biophys.Sin., 55, 2023
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