4DSO
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![BU of 4dso by Molmil](/molmil-images/mine/4dso) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSU
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![BU of 4dsu by Molmil](/molmil-images/mine/4dsu) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DST
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![BU of 4dst by Molmil](/molmil-images/mine/4dst) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSN
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![BU of 4dsn by Molmil](/molmil-images/mine/4dsn) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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2R17
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![BU of 2r17 by Molmil](/molmil-images/mine/2r17) | Functional architecture of the retromer cargo-recognition complex | Descriptor: | GLYCEROL, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | Authors: | Hierro, A, Rojas, A.L, Rojas, R, Murthy, N, Effantin, G, Kajava, A.V, Steven, A.C, Bonifacino, J.S, Hurley, J.H. | Deposit date: | 2007-08-22 | Release date: | 2007-10-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Functional architecture of the retromer cargo-recognition complex. Nature, 449, 2007
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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8BCU
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![BU of 8bcu by Molmil](/molmil-images/mine/8bcu) | |
8BCP
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![BU of 8bcp by Molmil](/molmil-images/mine/8bcp) | |
5T84
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![BU of 5t84 by Molmil](/molmil-images/mine/5t84) | HIV-1 protease, unbound subtype B L63P construct | Descriptor: | Protease | Authors: | Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G. | Deposit date: | 2016-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease To Be Published
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7K79
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![BU of 7k79 by Molmil](/molmil-images/mine/7k79) | CBF3 | Descriptor: | Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1 | Authors: | Ruifang, G, Yawen, B. | Deposit date: | 2020-09-22 | Release date: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation. Nat Commun, 12, 2021
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7K78
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![BU of 7k78 by Molmil](/molmil-images/mine/7k78) | antibody and nucleosome complex | Descriptor: | Cse4, DNA (136-MER), Histone H2A.1, ... | Authors: | Ruifang, G, Yawen, B. | Deposit date: | 2020-09-22 | Release date: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation. Nat Commun, 12, 2021
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7K7G
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![BU of 7k7g by Molmil](/molmil-images/mine/7k7g) | nucleosome and Gal4 complex | Descriptor: | Centromere DNA-binding protein complex CBF3 subunit B, DNA (147-MER), Histone H2A.1, ... | Authors: | Ruifang, G, Yawen, B. | Deposit date: | 2020-09-22 | Release date: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation. Nat Commun, 12, 2021
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5Z6Q
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![BU of 5z6q by Molmil](/molmil-images/mine/5z6q) | Crystal structure of AAA of Spastin | Descriptor: | CHLORIDE ION, Spastin | Authors: | Lin, Z, Wang, C, Shen, Y. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The AAA protein spastin possesses two levels of basal ATPase activity FEBS Lett., 592, 2018
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5NC5
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![BU of 5nc5 by Molmil](/molmil-images/mine/5nc5) | |
5O66
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![BU of 5o66 by Molmil](/molmil-images/mine/5o66) | Asymmetric AcrABZ-TolC | Descriptor: | Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, ... | Authors: | Du, D, Luisi, B.F. | Deposit date: | 2017-06-05 | Release date: | 2017-06-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | An allosteric transport mechanism for the AcrAB-TolC multidrug efflux pump. Elife, 6, 2017
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8EC0
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![BU of 8ec0 by Molmil](/molmil-images/mine/8ec0) | III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ... | Authors: | Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W. | Deposit date: | 2022-08-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex. Nat Commun, 14, 2023
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8E7S
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![BU of 8e7s by Molmil](/molmil-images/mine/8e7s) | III2IV2 respiratory supercomplex from Saccharomyces cerevisiae with 4 bound UQ6 | Descriptor: | (5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ... | Authors: | Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W. | Deposit date: | 2022-08-24 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex. Nat Commun, 14, 2023
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6BO4
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6BO5
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![BU of 6bo5 by Molmil](/molmil-images/mine/6bo5) | TRPV2 ion channel in partially closed state | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | Authors: | Dosey, T.L, Wang, Z. | Deposit date: | 2017-11-18 | Release date: | 2018-12-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of TRPV2 in distinct conformations provide insight into role of the pore turret. Nat.Struct.Mol.Biol., 26, 2019
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8XEP
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![BU of 8xep by Molmil](/molmil-images/mine/8xep) | Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | Descriptor: | SULFATE ION, Type IV effector MavL, Ubiquitin | Authors: | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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8JO4
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![BU of 8jo4 by Molmil](/molmil-images/mine/8jo4) | Cryo-EM structure of a Legionella effector complexed with actin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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8JO3
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![BU of 8jo3 by Molmil](/molmil-images/mine/8jo3) | Cryo-EM structure of a Legionella effector complexed with actin and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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7EZT
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![BU of 7ezt by Molmil](/molmil-images/mine/7ezt) | The structure and functional mechanism of nucleotide regulated acetylhexosaminidase Am2136 from Akkermansia muciniphila | Descriptor: | Beta-N-acetylhexosaminidase, MAGNESIUM ION | Authors: | Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G. | Deposit date: | 2021-06-02 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Nucleotide binding as an allosteric regulatory mechanism for Akkermansia muciniphila beta- N -acetylhexosaminidase Am2136. Gut Microbes, 14, 2022
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3GOL
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![BU of 3gol by Molmil](/molmil-images/mine/3gol) | HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | Descriptor: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | Authors: | Nyanguile, O, De Bondt, H. | Deposit date: | 2009-03-19 | Release date: | 2009-06-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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4DRU
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![BU of 4dru by Molmil](/molmil-images/mine/4dru) | HCV NS5B in complex with macrocyclic INDOLE INHIBITOR | Descriptor: | 13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide, GLYCEROL, RNA-directed RNA polymerase, ... | Authors: | Cummings, M.D, Vendeville, S. | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based macrocyclization yields hepatitis C virus NS5B inhibitors with improved binding affinities and pharmacokinetic properties. Angew.Chem.Int.Ed.Engl., 51, 2012
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