8F7F
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![BU of 8f7f by Molmil](/molmil-images/mine/8f7f) | The condensation domain of surfactin A synthetase C in space group P43212 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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6VDV
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![BU of 6vdv by Molmil](/molmil-images/mine/6vdv) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III)- Porphyrin and Substrate 4-bromophenol | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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6PHY
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![BU of 6phy by Molmil](/molmil-images/mine/6phy) | SpAga D472N structure in complex alpha 1,3 galactobiose | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-06-25 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
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7QCT
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![BU of 7qct by Molmil](/molmil-images/mine/7qct) | PDZ2 of LNX2 with SARS-CoV-2_E PBM complex | Descriptor: | Envelope small membrane protein, Ligand of Numb protein X 2 | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | Deposit date: | 2021-11-25 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.197 Å) | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins. Front Microbiol, 13, 2022
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6YCS
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![BU of 6ycs by Molmil](/molmil-images/mine/6ycs) | Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide. | Descriptor: | DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS)P*(OKT)P*(OKT))-3'), PC4 protein, SODIUM ION, ... | Authors: | Hyjek-Skladanowska, M, Vickers, T.A, Napiorkowska, A, Anderson, B, Tanowitz, M, Crooke, S.T, Liang, X, Seth, P.P, Nowotny, M. | Deposit date: | 2020-03-19 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins. J.Am.Chem.Soc., 142, 2020
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7QK7
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![BU of 7qk7 by Molmil](/molmil-images/mine/7qk7) | Crystal structure of the APO form of ALDH1A3 | Descriptor: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Castellvi, A, Farres, J. | Deposit date: | 2021-12-17 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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6YCZ
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![BU of 6ycz by Molmil](/molmil-images/mine/6ycz) | Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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7QCS
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![BU of 7qcs by Molmil](/molmil-images/mine/7qcs) | PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide | Descriptor: | Envelope small membrane protein, Protein PALS1 | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | Deposit date: | 2021-11-25 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins. Front Microbiol, 13, 2022
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7QQL
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![BU of 7qql by Molmil](/molmil-images/mine/7qql) | The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7QK8
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![BU of 7qk8 by Molmil](/molmil-images/mine/7qk8) | Crystal structure of the ALDH1A3-NAD+ complex | Descriptor: | Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Castellvi, A, Farres, J. | Deposit date: | 2021-12-17 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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7OJS
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7QQN
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![BU of 7qqn by Molmil](/molmil-images/mine/7qqn) | The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7B9B
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![BU of 7b9b by Molmil](/molmil-images/mine/7b9b) | Crystal structure of human 5' exonuclease Appollo APO form | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-12-14 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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7QK9
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![BU of 7qk9 by Molmil](/molmil-images/mine/7qk9) | Crystal structure of the ALDH1A3-ATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Castellvi, A, Farres, J. | Deposit date: | 2021-12-17 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3. Commun Biol, 5, 2022
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7QQM
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![BU of 7qqm by Molmil](/molmil-images/mine/7qqm) | The PDZ domain of LRRC7 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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7QIL
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![BU of 7qil by Molmil](/molmil-images/mine/7qil) | |
6PHW
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![BU of 6phw by Molmil](/molmil-images/mine/6phw) | SpAga D472N structure in complex with melibiose | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-06-25 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
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8CN0
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![BU of 8cn0 by Molmil](/molmil-images/mine/8cn0) | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A To Be Published
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6N48
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![BU of 6n48 by Molmil](/molmil-images/mine/6n48) | Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | Authors: | Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K. | Deposit date: | 2018-11-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mechanism of beta2AR regulation by an intracellular positive allosteric modulator. Science, 364, 2019
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8CNA
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![BU of 8cna by Molmil](/molmil-images/mine/8cna) | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
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7QT9
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![BU of 7qt9 by Molmil](/molmil-images/mine/7qt9) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584 | Descriptor: | DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6 | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7NY7
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![BU of 7ny7 by Molmil](/molmil-images/mine/7ny7) | Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1 | Authors: | Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G. | Deposit date: | 2021-03-21 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of a histone variant involved in compartmental regulation of NAD metabolism. Nat.Struct.Mol.Biol., 28, 2021
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6MQG
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![BU of 6mqg by Molmil](/molmil-images/mine/6mqg) | |
8EVD
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![BU of 8evd by Molmil](/molmil-images/mine/8evd) | |
7OBM
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![BU of 7obm by Molmil](/molmil-images/mine/7obm) | Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727) | Descriptor: | Prolyl endopeptidase-like | Authors: | Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP) | Deposit date: | 2021-04-22 | Release date: | 2021-11-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function. Iscience, 24, 2021
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