7OJT
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![BU of 7ojt by Molmil](/molmil-images/mine/7ojt) | Crystal structure of unliganded PatA, a membrane associated acyltransferase from Mycobacterium smegmatis | Descriptor: | GLYCEROL, Phosphatidylinositol mannoside acyltransferase | Authors: | Anso, I, Wang, L, Marina, A, Paez-Perez, E.D, Perrone, S, Lowary, T.L, Trastoy, B, Guerin, M.E. | Deposit date: | 2021-05-17 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.67 Å) | Cite: | Molecular ruler mechanism and interfacial catalysis of the integral membrane acyltransferase PatA. Sci Adv, 7, 2021
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6PVG
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![BU of 6pvg by Molmil](/molmil-images/mine/6pvg) | Crystal structure of ligand free PhqK | Descriptor: | FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-07-20 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.709 Å) | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway. J.Am.Chem.Soc., 142, 2020
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6PVI
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![BU of 6pvi by Molmil](/molmil-images/mine/6pvi) | Crystal structure of PhqK in complex with paraherquamide L | Descriptor: | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-07-20 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway. J.Am.Chem.Soc., 142, 2020
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7QYF
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![BU of 7qyf by Molmil](/molmil-images/mine/7qyf) | Structure of the transaminase PluriZyme variant (TR2E2) | Descriptor: | Aminotransferase TR2 | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | Deposit date: | 2022-01-28 | Release date: | 2023-07-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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6Q02
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![BU of 6q02 by Molmil](/molmil-images/mine/6q02) | |
8UVL
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![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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7QRL
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7TGS
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![BU of 7tgs by Molmil](/molmil-images/mine/7tgs) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7QX3
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![BU of 7qx3 by Molmil](/molmil-images/mine/7qx3) | Structure of the transaminase TR2E2 with EOS | Descriptor: | 2-azanylethyl hydrogen sulfate, Aminotransferase TR2 | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | Deposit date: | 2022-01-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew.Chem.Int.Ed.Engl., 61, 2022
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6ZLA
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![BU of 6zla by Molmil](/molmil-images/mine/6zla) | |
7TGU
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![BU of 7tgu by Molmil](/molmil-images/mine/7tgu) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7QX0
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![BU of 7qx0 by Molmil](/molmil-images/mine/7qx0) | Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP | Descriptor: | Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | Deposit date: | 2022-01-26 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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7P06
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![BU of 7p06 by Molmil](/molmil-images/mine/7p06) | Cryo-EM structure of Pdr5 from Saccharomyces cerevisiae in outward-facing conformation with ADP-orthovanadate/ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ... | Authors: | Szewczak-Harris, A, Wagner, M, Du, D, Schmitt, L, Luisi, B.F. | Deposit date: | 2021-06-29 | Release date: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5. Nat Commun, 12, 2021
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5NBJ
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![BU of 5nbj by Molmil](/molmil-images/mine/5nbj) | DLS Tetragonal - ReHEWL | Descriptor: | CHLORIDE ION, Lysozyme C, RHENIUM, ... | Authors: | Brink, A, Helliwell, J.R. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.266 Å) | Cite: | New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. IUCrJ, 4, 2017
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7TGT
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![BU of 7tgt by Molmil](/molmil-images/mine/7tgt) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7P05
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![BU of 7p05 by Molmil](/molmil-images/mine/7p05) | Cryo-EM structure of Pdr5 from Saccharomyces cerevisiae in inward-facing conformation with ADP/ATP and rhodamine 6G | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Pleiotropic ABC efflux transporter of multiple drugs, ... | Authors: | Szewczak-Harris, A, Wagner, M, Du, D, Schmitt, L, Luisi, B.F. | Deposit date: | 2021-06-29 | Release date: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5. Nat Commun, 12, 2021
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7U04
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![BU of 7u04 by Molmil](/molmil-images/mine/7u04) | IOMA class antibody ACS101 | Descriptor: | GLYCEROL, IOMA class antibody ACS101 heavy chain, IOMA class antibody ACS101 light chain | Authors: | Farokhi, E, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2022-02-17 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein. Nat Commun, 13, 2022
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6ZEG
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![BU of 6zeg by Molmil](/molmil-images/mine/6zeg) | Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ... | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | Deposit date: | 2020-06-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
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6NC9
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![BU of 6nc9 by Molmil](/molmil-images/mine/6nc9) | Lipid II flippase MurJ, outward-facing conformation | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, ... | Authors: | Kuk, A.C.Y, Lee, S.-Y. | Deposit date: | 2018-12-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Visualizing conformation transitions of the Lipid II flippase MurJ. Nat Commun, 10, 2019
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7RAX
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![BU of 7rax by Molmil](/molmil-images/mine/7rax) | |
6ZJ1
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![BU of 6zj1 by Molmil](/molmil-images/mine/6zj1) | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with tetrasaccharide N-glycan fragment and hexatungstotellurate(VI) TEW | Descriptor: | 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, MAGNESIUM ION, ... | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-27 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
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5M99
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![BU of 5m99 by Molmil](/molmil-images/mine/5m99) | Functional Characterization and Crystal Structure of Thermostable Amylase from Thermotoga petrophila, reveals High Thermostability and an Archaic form of Dimerization | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-amylase, ... | Authors: | Hameed, U, Price, I, Mirza, O.A. | Deposit date: | 2016-11-01 | Release date: | 2017-07-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Functional characterization and crystal structure of thermostable amylase from Thermotoga petrophila, reveals high thermostability and an unusual form of dimerization. Biochim. Biophys. Acta, 1865, 2017
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5MBJ
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![BU of 5mbj by Molmil](/molmil-images/mine/5mbj) | Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6ZD8
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![BU of 6zd8 by Molmil](/molmil-images/mine/6zd8) | Crystal structure of YTHDC1 T379V mutant | Descriptor: | SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2020-06-14 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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5MHK
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![BU of 5mhk by Molmil](/molmil-images/mine/5mhk) | ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ... | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex. Nucleic Acids Res., 45, 2017
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