6GOG
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![BU of 6gog by Molmil](/molmil-images/mine/6gog) | KRAS-169 Q61H GPPNHP | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5WHV
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![BU of 5whv by Molmil](/molmil-images/mine/5whv) | Crystal structure of ArtB | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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6GXT
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![BU of 6gxt by Molmil](/molmil-images/mine/6gxt) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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8BDA
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![BU of 8bda by Molmil](/molmil-images/mine/8bda) | IFTA complex in anterograde intraflagellar transport trains (Chlamydomonas reinhardtii) | Descriptor: | Intraflagellar transport particle protein 140, Intraflagellar transport protein 121, Intraflagellar transport protein 122 homolog, ... | Authors: | Lacey, S.E, Foster, H.E, Pigino, G. | Deposit date: | 2022-10-18 | Release date: | 2023-01-11 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (20.700001 Å) | Cite: | The molecular structure of IFT-A and IFT-B in anterograde intraflagellar transport trains. Nat.Struct.Mol.Biol., 30, 2023
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7R9W
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![BU of 7r9w by Molmil](/molmil-images/mine/7r9w) | LC3A in complex with Fragment 1-1 | Descriptor: | 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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7R9Z
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![BU of 7r9z by Molmil](/molmil-images/mine/7r9z) | LC3A in complex with Fragment 2-3 | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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7RA0
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![BU of 7ra0 by Molmil](/molmil-images/mine/7ra0) | LC3A in complex with Fragment 2-10 | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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6WUB
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1G8M
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![BU of 1g8m by Molmil](/molmil-images/mine/1g8m) | CRYSTAL STRUCTURE OF AVIAN ATIC, A BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME IN PURINE BIOSYNTHESIS AT 1.75 ANG. RESOLUTION | Descriptor: | AICAR TRANSFORMYLASE-IMP CYCLOHYDROLASE, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | Authors: | Greasley, S.E, Horton, P, Beardsley, G.P, Benkovic, S.J, Wilson, I.A. | Deposit date: | 2000-11-17 | Release date: | 2001-04-27 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a bifunctional transformylase and cyclohydrolase enzyme in purine biosynthesis. Nat.Struct.Biol., 8, 2001
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2XCR
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![BU of 2xcr by Molmil](/molmil-images/mine/2xcr) | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | Descriptor: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-25 | Release date: | 2010-08-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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6GJQ
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![BU of 6gjq by Molmil](/molmil-images/mine/6gjq) | human NBD1 of CFTR in complex with nanobody T27 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27 | Authors: | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | Deposit date: | 2018-05-16 | Release date: | 2019-06-19 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun, 10, 2019
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4YUP
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![BU of 4yup by Molmil](/molmil-images/mine/4yup) | Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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6PTT
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![BU of 6ptt by Molmil](/molmil-images/mine/6ptt) | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
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4RYD
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7ZSS
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![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-08 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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6FKL
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![BU of 6fkl by Molmil](/molmil-images/mine/6fkl) | Tubulin-TUB015 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione, CALCIUM ION, ... | Authors: | Prota, A.E, Steinmetz, M.O, Priego, E.-M. | Deposit date: | 2018-01-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design. Sci Rep, 8, 2018
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7U32
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![BU of 7u32 by Molmil](/molmil-images/mine/7u32) | MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution | Descriptor: | CALCIUM ION, DNA EV272, DNA EV273, ... | Authors: | Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D. | Deposit date: | 2022-02-25 | Release date: | 2022-05-11 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Multivalent interactions essential for lentiviral integrase function. Nat Commun, 13, 2022
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5EG0
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![BU of 5eg0 by Molmil](/molmil-images/mine/5eg0) | HOXB13-MEIS1 heterodimer bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-26 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Molecular basis of recognition of two distinct DNA sequences by a single transcription factor To Be Published
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6CAO
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5LWQ
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![BU of 5lwq by Molmil](/molmil-images/mine/5lwq) | CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | BROMIDE ION, Enterochelin uptake periplasmic binding protein, SODIUM ION | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-09-19 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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6MZL
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![BU of 6mzl by Molmil](/molmil-images/mine/6mzl) | Human TFIID canonical state | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ... | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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6WUA
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7UUO
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![BU of 7uuo by Molmil](/molmil-images/mine/7uuo) | Crystal structure of aminoglycoside resistance enzyme ApmA H135A mutant, complex with tobramycin and coenzyme A | Descriptor: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, COENZYME A, ... | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-04-28 | Release date: | 2022-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance. Nat.Chem.Biol., 20, 2024
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7UOV
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6MZJ
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![BU of 6mzj by Molmil](/molmil-images/mine/6mzj) | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | Deposit date: | 2018-11-05 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core. Elife, 7, 2018
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