7O46
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![BU of 7o46 by Molmil](/molmil-images/mine/7o46) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 | Descriptor: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5 | Authors: | Talibov, V.O. | Deposit date: | 2021-04-05 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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8Q57
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![BU of 8q57 by Molmil](/molmil-images/mine/8q57) | Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ... | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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7SN6
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![BU of 7sn6 by Molmil](/molmil-images/mine/7sn6) | U2AF65 UHM BOUND TO SF3B155 ULM5 | Descriptor: | ISOPROPYL ALCOHOL, Splicing factor 3B subunit 1, Splicing factor U2AF 65 kDa subunit | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2021-10-27 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A UHM-ULM interface with unusual structural features contributes to U2AF2 and SF3B1 association for pre-mRNA splicing. J.Biol.Chem., 298, 2022
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7OBI
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![BU of 7obi by Molmil](/molmil-images/mine/7obi) | Consensus tetratricopeptide repeat protein type RV4 | Descriptor: | CTPR-rv4, PHOSPHATE ION | Authors: | Eapen, R.S, Perez-Riba, A, Fischer, G, Itzhaki, L.S, Hyvonen, M. | Deposit date: | 2021-04-22 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unraveling the Mechanics of a Repeat-Protein Nanospring: From Folding of Individual Repeats to Fluctuations of the Superhelix. Acs Nano, 16, 2022
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8DH1
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![BU of 8dh1 by Molmil](/molmil-images/mine/8dh1) | T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair | Descriptor: | 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2022-06-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun, 14, 2023
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5B5Q
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![BU of 5b5q by Molmil](/molmil-images/mine/5b5q) | |
6AQS
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![BU of 6aqs by Molmil](/molmil-images/mine/6aqs) | Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ... | Authors: | Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-08-21 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Genetic resistance to purine nucleoside phosphorylase inhibition in Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5BNE
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![BU of 5bne by Molmil](/molmil-images/mine/5bne) | |
7OJD
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![BU of 7ojd by Molmil](/molmil-images/mine/7ojd) | SaFtsZ(D46A) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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6MEK
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7OJA
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![BU of 7oja by Molmil](/molmil-images/mine/7oja) | SaFtsZ(D210N) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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6V0Y
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![BU of 6v0y by Molmil](/molmil-images/mine/6v0y) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, GLYCEROL, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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5BO1
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![BU of 5bo1 by Molmil](/molmil-images/mine/5bo1) | |
6AZS
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![BU of 6azs by Molmil](/molmil-images/mine/6azs) | Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Peat, T.S, Esquirol, L, Newman, J, Scott, C. | Deposit date: | 2017-09-11 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841. PLoS ONE, 13, 2018
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6P5T
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![BU of 6p5t by Molmil](/molmil-images/mine/6p5t) | Surface-layer (S-layer) RsaA protein from Caulobacter crescentus bound to strontium and iodide | Descriptor: | IODIDE ION, S-layer protein, STRONTIUM ION | Authors: | Chan, A.C, Herrmann, J, Smit, J, Wakatsuki, S, Murphy, M.E. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A bacterial surface layer protein exploits multistep crystallization for rapid self-assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
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6B05
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![BU of 6b05 by Molmil](/molmil-images/mine/6b05) | |
7NTQ
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![BU of 7ntq by Molmil](/molmil-images/mine/7ntq) | Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-03-10 | Release date: | 2022-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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6MFR
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7OHK
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![BU of 7ohk by Molmil](/molmil-images/mine/7ohk) | SaFtsZ complexed with GDP, BeF3- and Mg2+ | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-11 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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6ASB
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![BU of 6asb by Molmil](/molmil-images/mine/6asb) | CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION | Authors: | Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-24 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
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8DKG
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![BU of 8dkg by Molmil](/molmil-images/mine/8dkg) | Structure of PYCR1 Thr171Met variant complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial, ... | Authors: | Meeks, K.R, Tanner, J.J. | Deposit date: | 2022-07-05 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Functional Impact of a Cancer-Related Variant in Human Delta 1 -Pyrroline-5-Carboxylate Reductase 1. Acs Omega, 8, 2023
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8DH5
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![BU of 8dh5 by Molmil](/molmil-images/mine/8dh5) | |
8PND
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![BU of 8pnd by Molmil](/molmil-images/mine/8pnd) | The ES3 intermediate of hydroxymethylbilane synthase R167Q variant | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ... | Authors: | Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P. | Deposit date: | 2023-06-30 | Release date: | 2023-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate. Febs J., 291, 2024
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7OI2
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![BU of 7oi2 by Molmil](/molmil-images/mine/7oi2) | SaFtsz complexed with GDP (NaCl purification) | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu Morales, J.M. | Deposit date: | 2021-05-11 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7T2Q
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![BU of 7t2q by Molmil](/molmil-images/mine/7t2q) | PEGylated Calmodulin-1 (K148U) | Descriptor: | CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ... | Authors: | Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J. | Deposit date: | 2021-12-06 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine. Nat Commun, 13, 2022
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