5HOK
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![BU of 5hok by Molmil](/molmil-images/mine/5hok) | MamB-CTD mutant - D247A | Descriptor: | MAGNESIUM ION, Magnetosome protein MamB | Authors: | Keren, N, Zeytuni, N, Zarivach, R. | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization. Mol. Microbiol., 107, 2018
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6GIN
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![BU of 6gin by Molmil](/molmil-images/mine/6gin) | Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. | Descriptor: | 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-14 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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8B3C
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![BU of 8b3c by Molmil](/molmil-images/mine/8b3c) | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2022-09-16 | Release date: | 2023-09-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
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6DP4
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7LVU
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![BU of 7lvu by Molmil](/molmil-images/mine/7lvu) | Structure of RSV F-directed VHH Cl184 | Descriptor: | F-VHH-Cl184 | Authors: | Hsieh, C.-L, McLellan, J.S. | Deposit date: | 2021-02-26 | Release date: | 2021-03-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A vulnerable, membrane-proximal site in human respiratory syncytial virus F revealed by a prefusion-specific single-domain antibody. J.Virol., 95, 2021
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6GK6
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![BU of 6gk6 by Molmil](/molmil-images/mine/6gk6) | |
8B5D
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![BU of 8b5d by Molmil](/molmil-images/mine/8b5d) | |
7R1V
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![BU of 7r1v by Molmil](/molmil-images/mine/7r1v) | |
6DPI
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![BU of 6dpi by Molmil](/molmil-images/mine/6dpi) | |
8PZ6
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![BU of 8pz6 by Molmil](/molmil-images/mine/8pz6) | crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2023-07-27 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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7M02
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![BU of 7m02 by Molmil](/molmil-images/mine/7m02) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c | Descriptor: | (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-03-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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5U12
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![BU of 5u12 by Molmil](/molmil-images/mine/5u12) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one | Descriptor: | 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, Dihydropteroate synthase | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2016-11-27 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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8B5E
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7LZV
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![BU of 7lzv by Molmil](/molmil-images/mine/7lzv) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 19b | Descriptor: | (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-03-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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8B5M
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![BU of 8b5m by Molmil](/molmil-images/mine/8b5m) | Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | Authors: | Males, A, Davies, G.J. | Deposit date: | 2022-09-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | GH47 and Cyclosulfamidate To Be Published
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7M00
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![BU of 7m00 by Molmil](/molmil-images/mine/7m00) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 13c | Descriptor: | (1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-03-10 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
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5HWP
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![BU of 5hwp by Molmil](/molmil-images/mine/5hwp) | MvaS with acetylated Cys115 in complex with coenzyme A | Descriptor: | COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
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7RGZ
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5U1X
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6GMV
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![BU of 6gmv by Molmil](/molmil-images/mine/6gmv) | MamM CTD - Nickel form | Descriptor: | BETA-MERCAPTOETHANOL, MamM CTD - Nickel form, NICKEL (II) ION, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-05-28 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | MamM CTD - Nickel form To Be Published
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8B5Q
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5U6T
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![BU of 5u6t by Molmil](/molmil-images/mine/5u6t) | The crystal structure of 4-ethoxybenzoate-bound CYP199A4 | Descriptor: | 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | Deposit date: | 2016-12-08 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
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6R5T
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7RH3
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6R5U
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![BU of 6r5u by Molmil](/molmil-images/mine/6r5u) | |