8UWU
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![BU of 8uwu by Molmil](/molmil-images/mine/8uwu) | EmrE structure in the proton-bound state (WT/L51I heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-11-08 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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5M4X
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8E4H
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![BU of 8e4h by Molmil](/molmil-images/mine/8e4h) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-18 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E3R
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![BU of 8e3r by Molmil](/molmil-images/mine/8e3r) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E3K
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![BU of 8e3k by Molmil](/molmil-images/mine/8e3k) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-17 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8E5Y
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8EE9
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![BU of 8ee9 by Molmil](/molmil-images/mine/8ee9) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-09-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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5LXW
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8EBH
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![BU of 8ebh by Molmil](/molmil-images/mine/8ebh) | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAATGGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2022-08-31 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | DNA selection by the master transcription factor PU.1. Cell Rep, 42, 2023
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8FTG
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![BU of 8ftg by Molmil](/molmil-images/mine/8ftg) | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | Deposit date: | 2023-01-12 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Molecular recognition requires dimerization of a VHH antibody. Mabs, 15, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8DVW
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![BU of 8dvw by Molmil](/molmil-images/mine/8dvw) | Structure of the Campylobacter concisus glycosyltransferase PglA R203Q | Descriptor: | N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N. | Deposit date: | 2022-07-30 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA. Protein Sci., 33, 2024
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8DVZ
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![BU of 8dvz by Molmil](/molmil-images/mine/8dvz) | Structure of the Campylobacter concisus glycosyltransferase PglA R282V variant | Descriptor: | N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N. | Deposit date: | 2022-07-30 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA. Protein Sci., 33, 2024
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8DQD
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![BU of 8dqd by Molmil](/molmil-images/mine/8dqd) | Structure of the Campylobacter concisus glycosyltransferase PglA | Descriptor: | N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N. | Deposit date: | 2022-07-18 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA. Protein Sci., 33, 2024
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8EW3
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![BU of 8ew3 by Molmil](/molmil-images/mine/8ew3) | Cryo EM structure of Vibrio cholerae NQR | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | Authors: | Fuller, J.R, Juarez, O. | Deposit date: | 2022-10-21 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.65159 Å) | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR To Be Published
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2ZRO
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![BU of 2zro by Molmil](/molmil-images/mine/2zro) | MsRecA ADP form IV | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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2ZTD
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![BU of 2ztd by Molmil](/molmil-images/mine/2ztd) | MtRuvA Form III | Descriptor: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | Authors: | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-10-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability Biochim.Biophys.Acta, 1794, 2009
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2Z5D
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![BU of 2z5d by Molmil](/molmil-images/mine/2z5d) | Human ubiquitin-conjugating enzyme E2 H | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-06 | Release date: | 2007-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. MOL.CELL PROTEOMICS, 11, 2012
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8EVU
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![BU of 8evu by Molmil](/molmil-images/mine/8evu) | Cryo EM structure of Vibrio cholerae NQR | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | Authors: | Fuller, J.R, Juarez, O. | Deposit date: | 2022-10-20 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.5804 Å) | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR To Be Published
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2ZRD
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![BU of 2zrd by Molmil](/molmil-images/mine/2zrd) | MsRecA Q196N ADP form IV | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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2ZRL
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![BU of 2zrl by Molmil](/molmil-images/mine/2zrl) | MsRecA Q196A dATP FORM II' | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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8EW6
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![BU of 8ew6 by Molmil](/molmil-images/mine/8ew6) | Anti-human CD8 VHH complex with CD8 alpha | Descriptor: | Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain | Authors: | Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P. | Deposit date: | 2022-10-21 | Release date: | 2022-11-23 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging. Eur J Nucl Med Mol Imaging, 50, 2023
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5IZD
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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