5WDJ
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![BU of 5wdj by Molmil](/molmil-images/mine/5wdj) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2017-07-05 | Release date: | 2018-04-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors. Medchemcomm, 8, 2017
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5Z45
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![BU of 5z45 by Molmil](/molmil-images/mine/5z45) | Crystal structure of prenyltransferase AmbP1 pH6.5 complexed with GSPP and cis-indolyl vinyl isonitrile | Descriptor: | 3-[(Z)-2-isocyanoethenyl]-1H-indole, AmbP1, GERANYL S-THIOLODIPHOSPHATE, ... | Authors: | Awakawa, T, Nakashima, Y, Mori, T, Abe, I. | Deposit date: | 2018-01-10 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Molecular Insight into the Mg2+-Dependent Allosteric Control of Indole Prenylation by Aromatic Prenyltransferase AmbP1 Angew. Chem. Int. Ed. Engl., 57, 2018
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7WJQ
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![BU of 7wjq by Molmil](/molmil-images/mine/7wjq) | Crystal structure of GSDMB in complex with Ipah7.8 | Descriptor: | Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8 | Authors: | Li, X, Zhang, H, Yin, H. | Deposit date: | 2022-01-07 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8 Nat Commun, 14, 2023
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5WRO
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![BU of 5wro by Molmil](/molmil-images/mine/5wro) | Crystal structure of Drosophila enolase | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Zhang, Z, Shi, Z. | Deposit date: | 2016-12-02 | Release date: | 2017-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Crystal structure of enolase from Drosophila melanogaster. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5Z44
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![BU of 5z44 by Molmil](/molmil-images/mine/5z44) | Crystal structure of prenyltransferase AmbP1 complexed with GSPP | Descriptor: | AmbP1, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION | Authors: | Awakawa, T, Nakashima, Y, Mori, T, Abe, I. | Deposit date: | 2018-01-10 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.458 Å) | Cite: | Molecular Insight into the Mg2+-Dependent Allosteric Control of Indole Prenylation by Aromatic Prenyltransferase AmbP1 Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z46
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![BU of 5z46 by Molmil](/molmil-images/mine/5z46) | Crystal structure of prenyltransferase AmbP1 pH8 complexed with GSPP and cis-indolyl vinyl isonitrile | Descriptor: | 3-[(Z)-2-isocyanoethenyl]-1H-indole, AmbP1, GERANYL S-THIOLODIPHOSPHATE, ... | Authors: | Awakawa, T, Nakashima, Y, Mori, T, Abe, I. | Deposit date: | 2018-01-10 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Molecular Insight into the Mg2+-Dependent Allosteric Control of Indole Prenylation by Aromatic Prenyltransferase AmbP1 Angew. Chem. Int. Ed. Engl., 57, 2018
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5WZX
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![BU of 5wzx by Molmil](/molmil-images/mine/5wzx) | Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | Descriptor: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | Authors: | Lu, Y, Li, Y. | Deposit date: | 2017-01-19 | Release date: | 2018-01-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity Mol. Pharmacol., 93, 2018
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5WQ1
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![BU of 5wq1 by Molmil](/molmil-images/mine/5wq1) | |
7XEY
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![BU of 7xey by Molmil](/molmil-images/mine/7xey) | EDS1-PAD4 complexed with pRib-ADP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-beta-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Huang, S, Jia, A, Xiao, Y. | Deposit date: | 2022-03-31 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity. Science, 377, 2022
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7XDD
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![BU of 7xdd by Molmil](/molmil-images/mine/7xdd) | Cryo-EM structure of EDS1 and PAD4 | Descriptor: | Lipase-like PAD4, Protein EDS1 | Authors: | Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J. | Deposit date: | 2022-03-26 | Release date: | 2022-07-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity. Science, 377, 2022
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8IQU
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![BU of 8iqu by Molmil](/molmil-images/mine/8iqu) | Structure of MtbFadD23 with PhU-AMS | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23 | Authors: | Yan, M.R, Zhang, W. | Deposit date: | 2023-03-17 | Release date: | 2023-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.F, 79, 2023
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7XUX
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![BU of 7xux by Molmil](/molmil-images/mine/7xux) | |
7VLM
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![BU of 7vlm by Molmil](/molmil-images/mine/7vlm) | crystal structure of anti-CRISPR protein AcrIIA18 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, H2C7, ... | Authors: | Zhang, H, Wang, X.S, Li, X.Z. | Deposit date: | 2021-10-04 | Release date: | 2021-12-01 | Last modified: | 2023-07-05 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Inhibition mechanisms of CRISPR-Cas9 by AcrIIA17 and AcrIIA18 Nucleic Acids Res., 50, 2022
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7VC8
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![BU of 7vc8 by Molmil](/molmil-images/mine/7vc8) | Complex structure of AtHPPD with inhibitor PYQ3 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate | Authors: | Yang, G.F, Lin, H.Y. | Deposit date: | 2021-09-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress Adv Agrochem, 2022
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7VUN
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![BU of 7vun by Molmil](/molmil-images/mine/7vun) | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents. Acta Pharm Sin B, 12, 2022
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7W1S
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![BU of 7w1s by Molmil](/molmil-images/mine/7w1s) | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007 | Descriptor: | Nanobody Nb-007, Spike protein S1 | Authors: | Yang, J, Lin, S, Sun, H.L, Lu, G.W. | Deposit date: | 2021-11-20 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding. Front Immunol, 13, 2022
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7WJ8
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![BU of 7wj8 by Molmil](/molmil-images/mine/7wj8) | Complex structure of AtHPPD-PyQ1 | Descriptor: | 2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2022-01-05 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress Adv Agrochem, 2022
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7WJJ
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![BU of 7wjj by Molmil](/molmil-images/mine/7wjj) | Complex structure of AtHPPD-PyQ2 | Descriptor: | 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2022-01-06 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress Adv Agrochem, 2022
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7XR5
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![BU of 7xr5 by Molmil](/molmil-images/mine/7xr5) | Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Chen, R.C, Gao, S.S. | Deposit date: | 2022-05-09 | Release date: | 2022-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Actinomycetes-derived imine reductases with a preference towards bulky amine substrates. Commun Chem, 5, 2022
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7XE8
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![BU of 7xe8 by Molmil](/molmil-images/mine/7xe8) | |
7WVR
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![BU of 7wvr by Molmil](/molmil-images/mine/7wvr) | |
3TG3
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![BU of 3tg3 by Molmil](/molmil-images/mine/3tg3) | Crystal structure of the MAPK binding domain of MKP7 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein phosphatase 16 | Authors: | Zhang, Y.Y, Liu, X, Wu, J.W, Wang, Z.X. | Deposit date: | 2011-08-17 | Release date: | 2012-03-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.675 Å) | Cite: | A Distinct Interaction Mode Revealed by the Crystal Structure of the Kinase p38alpha with the MAPK Binding Domain of the Phosphatase MKP5. Sci.Signal., 4, 2011
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7VUE
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![BU of 7vue by Molmil](/molmil-images/mine/7vue) | Structural insight of the molecular mechanism of cilofexor bound to FXR | Descriptor: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Jiang, L, Chen, Y.C. | Deposit date: | 2021-11-02 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor. Biochem.Biophys.Res.Commun., 595, 2022
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7WCY
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![BU of 7wcy by Molmil](/molmil-images/mine/7wcy) | Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis. Mbio, 14, 2023
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7XVN
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![BU of 7xvn by Molmil](/molmil-images/mine/7xvn) | Structural basis for DNA recognition feature of retinoid-related orphan receptors | Descriptor: | DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ... | Authors: | Chen, Y, Jiang, L. | Deposit date: | 2022-05-24 | Release date: | 2023-11-29 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma. Structure, 32, 2024
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