6Z4R
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6HVC
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![BU of 6hvc by Molmil](/molmil-images/mine/6hvc) | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution | Descriptor: | Urotensin-2 | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | Deposit date: | 2018-10-10 | Release date: | 2019-01-16 | Last modified: | 2019-04-24 | Method: | SOLUTION NMR | Cite: | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides. J.Med.Chem., 62, 2019
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7UEL
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7UEM
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6HCL
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![BU of 6hcl by Molmil](/molmil-images/mine/6hcl) | Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-08-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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7K45
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6Q2W
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![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6QB3
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![BU of 6qb3 by Molmil](/molmil-images/mine/6qb3) | Apo Mcl1 in a complex with a scFv | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | Authors: | Kazmirski, S, Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6HHT
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![BU of 6hht by Molmil](/molmil-images/mine/6hht) | Echovirus 18 Open particle without two pentamers | Descriptor: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | Deposit date: | 2018-08-29 | Release date: | 2019-03-20 | Last modified: | 2019-04-10 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Enterovirus particles expel capsid pentamers to enable genome release. Nat Commun, 10, 2019
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3BCO
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![BU of 3bco by Molmil](/molmil-images/mine/3bco) | Crystal Structure of The Swapped FOrm of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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6TX4
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6TX9
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6Q9K
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![BU of 6q9k by Molmil](/molmil-images/mine/6q9k) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6QB4
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![BU of 6qb4 by Molmil](/molmil-images/mine/6qb4) | Mcl1-scFv complex with an indole acid inhibitor | Descriptor: | 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | Authors: | Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6QB9
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![BU of 6qb9 by Molmil](/molmil-images/mine/6qb9) | Structure of an anti-Mcl1 scFv | Descriptor: | L(+)-TARTARIC ACID, scFv55 | Authors: | Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6GJ5
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![BU of 6gj5 by Molmil](/molmil-images/mine/6gj5) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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1KZN
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![BU of 1kzn by Molmil](/molmil-images/mine/1kzn) | Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin | Descriptor: | CLOROBIOCIN, DNA GYRASE SUBUNIT B | Authors: | Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R. | Deposit date: | 2002-02-07 | Release date: | 2002-06-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose. Biochemistry, 41, 2002
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6UD2
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![BU of 6ud2 by Molmil](/molmil-images/mine/6ud2) | co-crystal structure of compound 1 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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3AAT
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6ZK1
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![BU of 6zk1 by Molmil](/molmil-images/mine/6zk1) | Plant nucleoside hydrolase - ZmNRh2b enzyme | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2020-06-29 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6ZK2
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![BU of 6zk2 by Molmil](/molmil-images/mine/6zk2) | Plant nucleoside hydrolase - ZmNRh2b in complex with forodesine | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2020-06-29 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK3
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![BU of 6zk3 by Molmil](/molmil-images/mine/6zk3) | Plant nucleoside hydrolase - ZmNRh2b in complex with ribose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2020-06-29 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK4
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![BU of 6zk4 by Molmil](/molmil-images/mine/6zk4) | Plant nucleoside hydrolase - ZmNRh2b with a bound adenine | Descriptor: | 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2020-06-29 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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6ZK5
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![BU of 6zk5 by Molmil](/molmil-images/mine/6zk5) | Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2020-06-29 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization. Plant J., 2023
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