7Q0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0o by Molmil](/molmil-images/mine/7q0o) | E. coli NfsA | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | Deposit date: | 2021-10-15 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism. Febs Lett., 596, 2022
|
|
4W7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w7o by Molmil](/molmil-images/mine/4w7o) | |
7PDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pdy by Molmil](/molmil-images/mine/7pdy) | A viral peptide from Marek's disease virus bound to chicken MHC-II molecule | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 38 kDa phosphoprotein,MHC class II beta chain, ... | Authors: | Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S. | Deposit date: | 2021-08-09 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Viral peptide bound to chicken MHC-II molecule To Be Published
|
|
7PKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pkk by Molmil](/molmil-images/mine/7pkk) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7PK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pk8 by Molmil](/molmil-images/mine/7pk8) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7PHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7phn by Molmil](/molmil-images/mine/7phn) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-17 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
7PJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pjg by Molmil](/molmil-images/mine/7pjg) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-24 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
|
|
4TRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4trw by Molmil](/molmil-images/mine/4trw) | Structure of BACE1 complex with a syn-HEA-type inhibitor | Descriptor: | Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
|
|
4TOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tot by Molmil](/molmil-images/mine/4tot) | |
4RNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rnl by Molmil](/molmil-images/mine/4rnl) | The crystal structure of a possible galactose mutarotase from Streptomyces platensis subsp. rosaceus | Descriptor: | GLYCEROL, PHOSPHATE ION, possible galactose mutarotase | Authors: | Tan, K, Li, H, Endres, M, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-10-24 | Release date: | 2014-11-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of a possible galactose mutarotase from Streptomyces platensis subsp. rosaceus To be Published
|
|
7NWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwt by Molmil](/molmil-images/mine/7nwt) | Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I. | Deposit date: | 2021-03-17 | Release date: | 2021-12-15 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch Nat Commun, 12, 2021
|
|
4RNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rnw by Molmil](/molmil-images/mine/4rnw) | Truncated version of the G303 Circular Permutation of Old Yellow Enzyme | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | Deposit date: | 2014-10-26 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME. ACS Catal, 5, 2015
|
|
6WLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wln by Molmil](/molmil-images/mine/6wln) | hc16 ligase product models, 10.0 Angstrom resolution | Descriptor: | RNA (349-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
|
|
7OBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7obn by Molmil](/molmil-images/mine/7obn) | Structural investigations of a new L3 DNA ligase: structure-function analysis | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ... | Authors: | Leiros, H.-K.S, Williamson, A. | Deposit date: | 2021-04-23 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase. Sci Rep, 11, 2021
|
|
4S3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s3l by Molmil](/molmil-images/mine/4s3l) | |
4S1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s1f by Molmil](/molmil-images/mine/4s1f) | Fructose-6-phosphate aldolase A from E.coli soaked in acetylacetone | Descriptor: | Fructose-6-phosphate aldolase 1, pentane-2,4-dione | Authors: | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2015-01-13 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.242 Å) | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase ChemCatChem, 2015
|
|
4TLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tlw by Molmil](/molmil-images/mine/4tlw) | CARDS TOXIN, FULL-LENGTH | Descriptor: | ADP-ribosylating toxin CARDS | Authors: | Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J. | Deposit date: | 2014-05-30 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
7NT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nt4 by Molmil](/molmil-images/mine/7nt4) | X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... | Authors: | Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. | Deposit date: | 2021-03-09 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses. Cell Chem Biol, 29, 2022
|
|
4TN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tn4 by Molmil](/molmil-images/mine/4tn4) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | Deposit date: | 2014-06-03 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
|
|
4TRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4trz by Molmil](/molmil-images/mine/4trz) | Structure of BACE1 complex with 2-thiophenyl HEA-type inhibitor | Descriptor: | 2-thiophenyl HEA-type inhibitor, Beta-secretase 1 | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
|
|
4RNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rnr by Molmil](/molmil-images/mine/4rnr) | Crystal structure of broadly neutralizing anti-HIV antibody PGT130 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PGT130 Heavy Chain, PGT130 Light Chain | Authors: | Kong, L, Wilson, I.A. | Deposit date: | 2014-10-24 | Release date: | 2014-11-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Two Classes of Broadly Neutralizing Antibodies within a Single Lineage Directed to the High-Mannose Patch of HIV Envelope. J.Virol., 89, 2015
|
|
4RYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryo by Molmil](/molmil-images/mine/4ryo) | Crystal structure of BcTSPO type II high resolution monomer | Descriptor: | DIMETHYL SULFOXIDE, Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-15 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
4RP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rp3 by Molmil](/molmil-images/mine/4rp3) | Crystal Structure of the L27 Domain of Discs Large 1 (target ID NYSGRC-010766) from Drosophila melanogaster bound to a potassium ion (space group P212121) | Descriptor: | CHLORIDE ION, Disks large 1 tumor suppressor protein, FORMIC ACID, ... | Authors: | Ghosh, A, Ramagopal, U, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-29 | Release date: | 2014-11-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structures of the L27 Domain of Disc Large Homologue 1 Protein Illustrate a Self-Assembly Module. Biochemistry, 57, 2018
|
|
4RYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryr by Molmil](/molmil-images/mine/4ryr) | Crystal structure of BcTSPO, type 2 at 1.7 Angstrom with DMSO | Descriptor: | DIMETHYL SULFOXIDE, Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2014-12-16 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Protein structure. Structure and activity of tryptophan-rich TSPO proteins. Science, 347, 2015
|
|
6WLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wlt by Molmil](/molmil-images/mine/6wlt) | Apo V. cholerae glycine riboswitch models, 4.8 Angstrom resolution | Descriptor: | RNA (231-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
|
|