4Z20
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6O0S
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![BU of 6o0s by Molmil](/molmil-images/mine/6o0s) | Crystal structure of the tandem SAM domains from human SARM1 | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6TK5
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![BU of 6tk5 by Molmil](/molmil-images/mine/6tk5) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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4Z1Z
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5N6I
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![BU of 5n6i by Molmil](/molmil-images/mine/5n6i) | Crystal structure of mouse cGAS in complex with 39 bp DNA | Descriptor: | Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ... | Authors: | Andreeva, L, Kostrewa, D, Hopfner, K.-P. | Deposit date: | 2017-02-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders. Nature, 549, 2017
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6TQS
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![BU of 6tqs by Molmil](/molmil-images/mine/6tqs) | The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | Deposit date: | 2019-12-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts. Embo J., 39, 2020
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6T83
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![BU of 6t83 by Molmil](/molmil-images/mine/6t83) | Structure of yeast disome (di-ribosome) stalled on poly(A) tract. | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | Authors: | Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. | Deposit date: | 2019-10-24 | Release date: | 2019-12-25 | Last modified: | 2020-02-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts. Embo J., 39, 2020
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6T2N
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![BU of 6t2n by Molmil](/molmil-images/mine/6t2n) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | CALCIUM ION, Glycoside hydrolase family 16 protein | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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6NUI
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![BU of 6nui by Molmil](/molmil-images/mine/6nui) | Human Guanylate Kinase | Descriptor: | Guanylate kinase | Authors: | Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer. J.Biol.Chem., 294, 2019
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6NOR
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![BU of 6nor by Molmil](/molmil-images/mine/6nor) | Crystal structure of GenD2 from gentamicin A biosynthesis in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD dependent dehydrogenase | Authors: | Araujo, N.C, Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | Deposit date: | 2019-01-16 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structure of GenD2, an NAD-Dependent Oxidoreductase Involved in the Biosynthesis of Gentamicin. Acs Chem.Biol., 14, 2019
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3K3R
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1B96
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6G2S
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![BU of 6g2s by Molmil](/molmil-images/mine/6g2s) | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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8B7I
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![BU of 8b7i by Molmil](/molmil-images/mine/8b7i) | Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A | Descriptor: | HSP90AA1 protein | Authors: | Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brutscher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J. | Deposit date: | 2022-09-30 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Visualizing the transiently populated closed-state of human HSP90 ATP binding domain. Nat Commun, 13, 2022
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8B7J
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![BU of 8b7j by Molmil](/molmil-images/mine/8b7j) | Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A | Descriptor: | HSP90AA1 protein | Authors: | Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J. | Deposit date: | 2022-09-30 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Visualizing the transiently populated closed-state of human HSP90 ATP binding domain. Nat Commun, 13, 2022
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9BKJ
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![BU of 9bkj by Molmil](/molmil-images/mine/9bkj) | Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex | Descriptor: | AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ... | Authors: | Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | Deposit date: | 2024-04-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling To Be Published
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6O0L
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![BU of 6o0l by Molmil](/molmil-images/mine/6o0l) | crystal structure of BCL-2 G101V mutation with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, CHLORIDE ION, ... | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0P
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![BU of 6o0p by Molmil](/molmil-images/mine/6o0p) | crystal structure of BCL-2 G101A mutation with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0O
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![BU of 6o0o by Molmil](/molmil-images/mine/6o0o) | crystal structure of BCL-2 G101V mutation with S55746 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0T
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![BU of 6o0t by Molmil](/molmil-images/mine/6o0t) | Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1 | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6O1B
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![BU of 6o1b by Molmil](/molmil-images/mine/6o1b) | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-18 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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1AZL
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![BU of 1azl by Molmil](/molmil-images/mine/1azl) | G61V FLAVODOXIN MUTANT FROM DESULFOVIBRIO VULGARIS | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Walsh, M.A, Mccarthy, A, O'Farrell, P.A, Voordouw, G, Higgins, T, Mayhew, S.G. | Deposit date: | 1997-11-18 | Release date: | 1998-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants. Biochemistry, 37, 1998
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6I84
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![BU of 6i84 by Molmil](/molmil-images/mine/6i84) | Structure of transcribing RNA polymerase II-nucleosome complex | Descriptor: | DNA (158-MER), DNA (170-MER), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Farnung, L, Vos, S.M, Cramer, P. | Deposit date: | 2018-11-19 | Release date: | 2019-01-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of transcribing RNA polymerase II-nucleosome complex. Nat Commun, 9, 2018
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5FO4
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![BU of 5fo4 by Molmil](/molmil-images/mine/5fo4) | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) | Descriptor: | LEUCYL TRNA SYNTHASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-18 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOD
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![BU of 5fod by Molmil](/molmil-images/mine/5fod) | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3 | Descriptor: | 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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