8E31
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![BU of 8e31 by Molmil](/molmil-images/mine/8e31) | Purification of Enterovirus A71, strain 4643, WT capsid | Descriptor: | Genome polyprotein, VP1, VP3 | Authors: | Catching, A, Capponi, S, Andino, R. | Deposit date: | 2022-08-16 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | A tradeoff between enterovirus A71 particle stability and cell entry. Nat Commun, 14, 2023
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2LOW
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![BU of 2low by Molmil](/molmil-images/mine/2low) | Solution structure of AR55 in 50% HFIP | Descriptor: | Apelin receptor | Authors: | Langelaan, D.N, Rainey, J.K. | Deposit date: | 2012-01-27 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Preserved Transmembrane Segment Topology, Structure, and Dynamics in Disparate Micellar Environments. J Phys Chem Lett, 8, 2017
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6REP
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![BU of 6rep by Molmil](/molmil-images/mine/6rep) | Cryo-EM structure of Polytomella F-ATP synthase, Primary rotary state 3, composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6UCV
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![BU of 6ucv by Molmil](/molmil-images/mine/6ucv) | Cryo-EM structure of the mitochondrial TOM complex from yeast (tetramer) | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | Authors: | Park, E, Tucker, K. | Deposit date: | 2019-09-17 | Release date: | 2019-11-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution. Nat.Struct.Mol.Biol., 26, 2019
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6UDT
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![BU of 6udt by Molmil](/molmil-images/mine/6udt) | X-ray co-crystal structure of compound 10 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-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-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 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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6UDU
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![BU of 6udu by Molmil](/molmil-images/mine/6udu) | X-ray co-crystal structure of compound 8 bound to human Mcl-1 | Descriptor: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 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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6UDV
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![BU of 6udv by Molmil](/molmil-images/mine/6udv) | X-ray co-crystal structure of compound 3 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-19 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 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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4BL5
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![BU of 4bl5 by Molmil](/molmil-images/mine/4bl5) | Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose | Descriptor: | 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ... | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2013-05-01 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose To be Published
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6R8B
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![BU of 6r8b by Molmil](/molmil-images/mine/6r8b) | Escherichia coli AGPase in complex with FBP. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-04-01 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM Biorxiv, 2020
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4BB2
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![BU of 4bb2 by Molmil](/molmil-images/mine/4bb2) | Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone | Descriptor: | 1,2-ETHANEDIOL, CORTICOSTEROID-BINDING GLOBULIN, CYSTEINE, ... | Authors: | Gardill, B.R, Vogl, M.R, Lin, H, Hammond, G.L, Muller, Y.A. | Deposit date: | 2012-09-19 | Release date: | 2012-12-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences Plos One, 7, 2012
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2LA2
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![BU of 2la2 by Molmil](/molmil-images/mine/2la2) | |
6UEH
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![BU of 6ueh by Molmil](/molmil-images/mine/6ueh) | Crystal structure of a ruminal GH26 endo-beta-1,4-mannanase | Descriptor: | ACETATE ION, CALCIUM ION, Cow rumen GH26 endo-mannanase | Authors: | Mandelli, F, Morais, M.A.B, Lima, E.A, Persinoti, G.F, Murakami, M.T. | Deposit date: | 2019-09-21 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Spatially remote motifs cooperatively affect substrate preference of a ruminal GH26-type endo-beta-1,4-mannanase. J.Biol.Chem., 295, 2020
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6R8U
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![BU of 6r8u by Molmil](/molmil-images/mine/6r8u) | Escherichia coli AGPase in complex with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-04-02 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM Biorxiv, 2020
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6R6B
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![BU of 6r6b by Molmil](/molmil-images/mine/6r6b) | Structure of the core Shigella flexneri type III secretion system export gate complex SctRST (Spa24/Spa9/Spa29). | Descriptor: | Surface presentation of antigens protein SpaP, Surface presentation of antigens protein SpaQ, Surface presentation of antigens protein SpaR | Authors: | Johnson, S, Kuhlen, L, Deme, J.C, Abrusci, P, Lea, S.M. | Deposit date: | 2019-03-26 | Release date: | 2019-05-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The Structure of an Injectisome Export Gate Demonstrates Conservation of Architecture in the Core Export Gate between Flagellar and Virulence Type III Secretion Systems. Mbio, 10, 2019
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2LK0
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![BU of 2lk0 by Molmil](/molmil-images/mine/2lk0) | |
4CTP
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![BU of 4ctp by Molmil](/molmil-images/mine/4ctp) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
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6R9T
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![BU of 6r9t by Molmil](/molmil-images/mine/6r9t) | Cryo-EM structure of autoinhibited human talin-1 | Descriptor: | Talin-1 | Authors: | Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N. | Deposit date: | 2019-04-04 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | The Architecture of Talin1 Reveals an Autoinhibition Mechanism. Cell, 179, 2019
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5T9R
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![BU of 5t9r by Molmil](/molmil-images/mine/5t9r) | Structure of rabbit RyR1 (Ca2+-only dataset, class 3) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-09 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TB0
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![BU of 5tb0 by Molmil](/molmil-images/mine/5tb0) | Structure of rabbit RyR1 (EGTA-only dataset, all particles) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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4CI8
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![BU of 4ci8 by Molmil](/molmil-images/mine/4ci8) | |
8E0G
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![BU of 8e0g by Molmil](/molmil-images/mine/8e0g) | Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | Authors: | Munro, T.A. | Deposit date: | 2022-08-09 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72. Bmc Biol., 21, 2023
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6UJY
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![BU of 6ujy by Molmil](/molmil-images/mine/6ujy) | HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP | Descriptor: | Lamivudine Triphosphate, MAGNESIUM ION, SULFATE ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2019-10-03 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59456086 Å) | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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4CTH
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![BU of 4cth by Molmil](/molmil-images/mine/4cth) | Neprilysin variant G399V,G714K in complex with phosphoramidon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | Authors: | Webster, C.I, Burrell, M, Olsson, L, Fowler, S.B, Digby, S, Sandercock, A, Snijder, A, Tebbe, J, Haupts, U, Grudzinska, J, Jermutus, L, Andersson, C. | Deposit date: | 2014-03-13 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Engineering Neprilysin Activity and Specificity to Create a Novel Therapeutic for Alzheimer'S Disease. Plos One, 9, 2014
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4CU0
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![BU of 4cu0 by Molmil](/molmil-images/mine/4cu0) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | Descriptor: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2014-03-15 | Release date: | 2014-05-07 | Last modified: | 2014-06-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014
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6UMM
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![BU of 6umm by Molmil](/molmil-images/mine/6umm) | A complete structure of the ESX-3 translocon complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Poweleit, N, Rosenberg, O.S. | Deposit date: | 2019-10-09 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A large inner membrane pore defines the ESX translocon To Be Published
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