6Z3P
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![BU of 6z3p by Molmil](/molmil-images/mine/6z3p) | Structure of EV71 in complex with a protective antibody 38-3-11A Fab | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2020-05-21 | Release date: | 2020-09-02 | Last modified: | 2020-10-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71. Nat Commun, 11, 2020
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6Z4B
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![BU of 6z4b by Molmil](/molmil-images/mine/6z4b) | Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-05-25 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands. Acs Med.Chem.Lett., 11, 2020
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5AII
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![BU of 5aii by Molmil](/molmil-images/mine/5aii) | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries FEBS J., 282, 2015
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6YU4
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![BU of 6yu4 by Molmil](/molmil-images/mine/6yu4) | Crystal structure of MhsT in complex with L-4F-phenylalanine | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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6YUZ
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![BU of 6yuz by Molmil](/molmil-images/mine/6yuz) | Homodimeric structure of the rBAT complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neutral and basic amino acid transport protein rBAT | Authors: | Wu, D, Safarian, S, Michel, H. | Deposit date: | 2020-04-27 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for amino acid exchange by a human heteromeric amino acid transporter. Proc.Natl.Acad.Sci.USA, 117, 2020
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5AH0
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![BU of 5ah0 by Molmil](/molmil-images/mine/5ah0) | STRUCTURE OF LIPASE 1 FROM PELOSINUS FERMENTANS | Descriptor: | DI(HYDROXYETHYL)ETHER, LIPASE, POTASSIUM ION, ... | Authors: | Hromic, A, Gruber, K, Biundo, A, Ribitsch, D, Quartinello, F, Perz, V, Arrell, M.S, Kalman, F, Guebitz, G.M. | Deposit date: | 2015-02-04 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of a Poly(Butylene Adipate-Co-Terephthalate)-Hydrolyzing Lipase from Pelosinus Fermentans. Appl.Microbiol.Biotechnol., 100, 2016
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6HHJ
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![BU of 6hhj by Molmil](/molmil-images/mine/6hhj) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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1IB5
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![BU of 1ib5 by Molmil](/molmil-images/mine/1ib5) | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83Y | Descriptor: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | Deposit date: | 2001-03-27 | Release date: | 2001-05-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase. J.Mol.Biol., 308, 2001
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6FJM
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![BU of 6fjm by Molmil](/molmil-images/mine/6fjm) | tubulin-Disorazole Z complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ... | Authors: | Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | Deposit date: | 2018-01-22 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin. Nat Commun, 9, 2018
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6HK3
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![BU of 6hk3 by Molmil](/molmil-images/mine/6hk3) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6ZAV
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![BU of 6zav by Molmil](/molmil-images/mine/6zav) | NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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6HK7
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![BU of 6hk7 by Molmil](/molmil-images/mine/6hk7) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HVE
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![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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1IAZ
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![BU of 1iaz by Molmil](/molmil-images/mine/1iaz) | EQUINATOXIN II | Descriptor: | EQUINATOXIN II, SULFATE ION | Authors: | Athanasiadis, A, Anderluh, G, Macek, P, Turk, D. | Deposit date: | 2001-03-24 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina. Structure, 9, 2001
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6ZKP
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![BU of 6zkp by Molmil](/molmil-images/mine/6zkp) | Native complex I, open1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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6Z36
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![BU of 6z36 by Molmil](/molmil-images/mine/6z36) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-05-19 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
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6ZLC
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![BU of 6zlc by Molmil](/molmil-images/mine/6zlc) | Non-specific dsRNA recognition by wildtype H7N1 RNA-binding domain | Descriptor: | NITRATE ION, Non-structural protein 1, RNA (5'-R(*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*CP*U)-3'), ... | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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6Z3Q
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![BU of 6z3q by Molmil](/molmil-images/mine/6z3q) | Structure of EV71 in complex with a protective antibody 38-1-10A Fab | Descriptor: | Heavy chain, Light chain, SPHINGOSINE, ... | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | Deposit date: | 2020-05-21 | Release date: | 2020-09-02 | Last modified: | 2020-10-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71. Nat Commun, 11, 2020
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6Z4D
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![BU of 6z4d by Molmil](/molmil-images/mine/6z4d) | Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-05-25 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands. Acs Med.Chem.Lett., 11, 2020
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5A9G
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![BU of 5a9g by Molmil](/molmil-images/mine/5a9g) | Manganese Superoxide Dismutase from Sphingobacterium sp. T2 | Descriptor: | MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | Authors: | Rashid, G.M.M, Taylor, C.R, Liu, Y, Zhang, X, Rea, D, Fulop, V, Bugg, T.D.H. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Identification of Manganese Superoxide Dismutase from Sphingobacterium Sp. T2 as a Novel Bacterial Enzyme for Lignin Oxidation. Acs Chem.Biol., 10, 2015
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1I5R
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![BU of 1i5r by Molmil](/molmil-images/mine/1i5r) | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | Descriptor: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | Authors: | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | Deposit date: | 2001-02-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity FASEB J., 16, 2002
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6YU5
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![BU of 6yu5 by Molmil](/molmil-images/mine/6yu5) | Crystal structure of MhsT in complex with L-valine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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6HZJ
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![BU of 6hzj by Molmil](/molmil-images/mine/6hzj) | Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea strain 6140 Penicillin-Binding Protein 2 (PBP2) | Descriptor: | Probable peptidoglycan D,D-transpeptidase PenA | Authors: | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | Deposit date: | 2018-10-23 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance. J.Mol.Biol., 431, 2019
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5A2G
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![BU of 5a2g by Molmil](/molmil-images/mine/5a2g) | An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters | Descriptor: | CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION | Authors: | Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M. | Deposit date: | 2015-05-19 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters. Environ.Sci.Tech., 50, 2016
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5A9A
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![BU of 5a9a by Molmil](/molmil-images/mine/5a9a) | Crystal structure of Simulium ubiquitum CPV20 polyhedra | Descriptor: | POLYHEDRIN, URIDINE 5'-TRIPHOSPHATE | Authors: | Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Polyhedra Structures and the Evolution of the Insect Viruses. J.Struct.Biol., 192, 2015
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