6MTX
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![BU of 6mtx by Molmil](/molmil-images/mine/6mtx) | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 isolated following ZPIV vaccination | Descriptor: | GLYCEROL, MZ1 Heavy Chain, MZ1 Light Chain | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | Deposit date: | 2018-10-22 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor. Nat Med, 26, 2020
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1FUI
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![BU of 1fui by Molmil](/molmil-images/mine/1fui) | L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI | Descriptor: | FUCITOL, L-FUCOSE ISOMERASE, MANGANESE (II) ION, ... | Authors: | Seemann, J.E, Schulz, G.E. | Deposit date: | 1997-04-14 | Release date: | 1997-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of L-fucose isomerase from Escherichia coli. J.Mol.Biol., 273, 1997
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2IT0
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![BU of 2it0 by Molmil](/molmil-images/mine/2it0) | Crystal structure of a two-domain IdeR-DNA complex crystal form II | Descriptor: | ACETATE ION, Iron-dependent repressor ideR, NICKEL (II) ION, ... | Authors: | Wisedchaisri, G, Chou, C.J, Wu, M, Roach, C, Rice, A.E, Holmes, R.K, Beeson, C, Hol, W.G. | Deposit date: | 2006-10-18 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures, metal activation, and DNA-binding properties of two-domain IdeR from Mycobacterium tuberculosis Biochemistry, 46, 2007
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7U5E
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![BU of 7u5e by Molmil](/molmil-images/mine/7u5e) | I-F3b Cascade-TniQ partial R-loop complex | Descriptor: | Cas6, Cas7, Cas8/5, ... | Authors: | Park, J.U, Mehrotra, E, Kellogg, E.H. | Deposit date: | 2022-03-02 | Release date: | 2023-06-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Multiple adaptations underly co-option of a CRISPR surveillance complex for RNA-guided DNA transposition. Mol.Cell, 83, 2023
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7U5D
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![BU of 7u5d by Molmil](/molmil-images/mine/7u5d) | I-F3b Cascade-TniQ full R-loop complex | Descriptor: | Cas6, Cas7, Cas8/5, ... | Authors: | Park, J.U, Mehrotra, E, Kellogg, E.H. | Deposit date: | 2022-03-02 | Release date: | 2023-06-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Multiple adaptations underly co-option of a CRISPR surveillance complex for RNA-guided DNA transposition. Mol.Cell, 83, 2023
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6NJH
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![BU of 6njh by Molmil](/molmil-images/mine/6njh) | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | Deposit date: | 2019-01-03 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
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5JZ9
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![BU of 5jz9 by Molmil](/molmil-images/mine/5jz9) | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | Descriptor: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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7QQ3
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![BU of 7qq3 by Molmil](/molmil-images/mine/7qq3) | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Koller, T.O, Beckert, B, Wilson, D.N. | Deposit date: | 2022-01-06 | Release date: | 2023-01-18 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition. J.Am.Chem.Soc., 145, 2023
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1GIT
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![BU of 1git by Molmil](/molmil-images/mine/1git) | STRUCTURE OF GTP-BINDING PROTEIN | Descriptor: | G PROTEIN GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Berghuis, A.M, Lee, E, Sprang, S.R. | Deposit date: | 1996-10-16 | Release date: | 1997-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the GDP-Pi complex of Gly203-->Ala gialpha1: a mimic of the ternary product complex of galpha-catalyzed GTP hydrolysis. Structure, 4, 1996
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1G1O
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![BU of 1g1o by Molmil](/molmil-images/mine/1g1o) | CRYSTAL STRUCTURE OF THE HIGHLY AMYLOIDOGENIC TRANSTHYRETIN MUTANT TTR G53S/E54D/L55S | Descriptor: | TRANSTHYRETIN | Authors: | Eneqvist, T, Andersson, K, Olofsson, A, Lundgren, E, Sauer-Eriksson, A.E. | Deposit date: | 2000-10-13 | Release date: | 2001-10-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The beta-slip: a novel concept in transthyretin amyloidosis. Mol.Cell, 6, 2000
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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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6NS6
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![BU of 6ns6 by Molmil](/molmil-images/mine/6ns6) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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1GIA
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![BU of 1gia by Molmil](/molmil-images/mine/1gia) | |
5K50
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![BU of 5k50 by Molmil](/molmil-images/mine/5k50) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms | Descriptor: | ACETATE ION, ALLO-THREONINE, GLYCEROL, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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6NJJ
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![BU of 6njj by Molmil](/molmil-images/mine/6njj) | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | Descriptor: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | Deposit date: | 2019-01-03 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders. J.Med.Chem., 62, 2019
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5K71
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![BU of 5k71 by Molmil](/molmil-images/mine/5k71) | apo Dbr1 | Descriptor: | RNA lariat debranching enzyme, putative, SULFATE ION | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-05-25 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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5K89
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![BU of 5k89 by Molmil](/molmil-images/mine/5k89) | Crystal Structure of Human Calcium-Bound S100A1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | Deposit date: | 2016-05-27 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | X-ray crystal structure of human calcium-bound S100A1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6QA7
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![BU of 6qa7 by Molmil](/molmil-images/mine/6qa7) | Glycogen Phosphorylase b in complex with 29 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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5K4Y
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![BU of 5k4y by Molmil](/molmil-images/mine/5k4y) | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | Deposit date: | 2016-05-22 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations. Acta Crystallogr D Struct Biol, 74, 2018
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5N9T
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![BU of 5n9t by Molmil](/molmil-images/mine/5n9t) | Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor | Descriptor: | 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one, GLYCEROL, SULFATE ION, ... | Authors: | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H. | Deposit date: | 2017-02-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and characterization of highly potent and selective allosteric USP7 inhibitors. Nat. Chem. Biol., 14, 2018
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7LRM
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![BU of 7lrm by Molmil](/molmil-images/mine/7lrm) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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5K73
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![BU of 5k73 by Molmil](/molmil-images/mine/5k73) | as-isolated Dbr1 with Fe(II) and Zn(II) | Descriptor: | FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ... | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-05-25 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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6NS5
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![BU of 6ns5 by Molmil](/molmil-images/mine/6ns5) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. Second C2 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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7LRY
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![BU of 7lry by Molmil](/molmil-images/mine/7lry) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | Descriptor: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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