5DLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dli by Molmil](/molmil-images/mine/5dli) | Corkscrew assembly of SOD1 residues 28-38 | Descriptor: | GLYCEROL, IODIDE ION, Superoxide dismutase [Cu-Zn] | Authors: | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2015-09-05 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6I2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i2u by Molmil](/molmil-images/mine/6i2u) | |
5T9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t9y by Molmil](/molmil-images/mine/5t9y) | Crystal structure of the infectious salmon anemia virus (ISAV) hemagglutinin-esterase protein | Descriptor: | FORMIC ACID, GLYCEROL, HE protein, ... | Authors: | Cook, J.D, Sultana, A, Lee, J.E. | Deposit date: | 2016-09-09 | Release date: | 2017-03-22 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the infectious salmon anemia virus receptor complex illustrates a unique binding strategy for attachment. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5VCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vcs by Molmil](/molmil-images/mine/5vcs) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with Bound Acceptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ... | Authors: | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2017-03-31 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5W2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w2e by Molmil](/molmil-images/mine/5w2e) | HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876 | Descriptor: | 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein | Authors: | Lesburg, C.A, Ummat, A. | Deposit date: | 2017-06-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876. ChemMedChem, 12, 2017
|
|
6AGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
1QNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qny by Molmil](/molmil-images/mine/1qny) | X-ray refinement of D2O soaked crystal of concanavalin A | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography Acta Crystallogr.,Sect.D, 56, 2000
|
|
2VN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vn5 by Molmil](/molmil-images/mine/2vn5) | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | Deposit date: | 2008-01-31 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner. J.Biol.Chem., 283, 2008
|
|
5SFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sfc by Molmil](/molmil-images/mine/5sfc) | Crystal Structure of human phosphodiesterase 10 in complex with | Descriptor: | 3-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-(2-phenyl-2,3-dihydro-1~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-4-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Peters, J.U, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2022-01-21 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
|
|
2WZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wzs by Molmil](/molmil-images/mine/2wzs) | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Zhu, Y, Suits, M.D.L, Thompson, A, Chavan, S, Dinev, Z, Dumon, C, Smith, N, Moremen, K.W, Xiang, Y, Siriwardena, A, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-12-02 | Release date: | 2009-12-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont. Nat.Chem.Biol., 6, 2010
|
|
5B5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b5y by Molmil](/molmil-images/mine/5b5y) | Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB | Descriptor: | ACETATE ION, PtLCIB4, ZINC ION | Authors: | Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y. | Deposit date: | 2016-05-24 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5B5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b5z by Molmil](/molmil-images/mine/5b5z) | Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB | Descriptor: | PtLCIB4 H88A mutant, ZINC ION | Authors: | Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y. | Deposit date: | 2016-05-24 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
3IRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3irr by Molmil](/molmil-images/mine/3irr) | Crystal Structure of a Z-Z junction (with HEPES intercalating) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*A*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*G*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), ... | Authors: | Athanasiadis, A, de Rosa, M. | Deposit date: | 2009-08-24 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of a junction between two Z-DNA helices. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
2VLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vlg by Molmil](/molmil-images/mine/2vlg) | KinA PAS-A domain, homodimer | Descriptor: | ACETATE ION, CHLORIDE ION, SPORULATION KINASE A | Authors: | Lee, J, Tomchick, D.R, Brautigam, C.A, Machius, M, Kort, R, Hellingwerf, K.J, Gardner, K.H. | Deposit date: | 2008-01-14 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Changes at the Kina Pas-A Dimerization Interface Influence Histidine Kinase Function. Biochemistry, 47, 2008
|
|
5TK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tk9 by Molmil](/molmil-images/mine/5tk9) | Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A bound | Descriptor: | MAGNESIUM ION, OxsA protein, [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol | Authors: | Bridwell-Rabb, J, Drennan, C.L. | Deposit date: | 2016-10-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.843 Å) | Cite: | An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
1OSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1osw by Molmil](/molmil-images/mine/1osw) | The Stem of SL1 RNA in HIV-1: Structure and Nucleocapsid Protein Binding for a 1X3 Internal Loop | Descriptor: | 5'-R(*GP*GP*AP*GP*GP*CP*GP*CP*UP*AP*CP*GP*GP*CP*GP*AP*GP*GP*CP*UP*CP*CP*A)-3' | Authors: | Yuan, Y, Kerwood, D.J, Paoletti, A.C, Shubsda, M.F, Borer, P.N. | Deposit date: | 2003-03-20 | Release date: | 2003-05-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Stem of SL1 RNA in HIV-1: Structure and Nucleocapsid Protein Binding for a 1X3 Internal Loop Biochemistry, 42, 2003
|
|
4DR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dr6 by Molmil](/molmil-images/mine/4dr6) | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, near-cognate transfer RNA anticodon stem-loop mismatched at the first codon position and streptomycin bound | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-16 | Release date: | 2012-11-14 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A structural basis for streptomycin-induced misreading of the genetic code. Nat Commun, 4, 2013
|
|
4DV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dv1 by Molmil](/molmil-images/mine/4dv1) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U20G, bound with streptomycin | Descriptor: | 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Method: | X-RAY DIFFRACTION (3.849 Å) | Cite: | A structural basis for streptomycin resistance To be Published
|
|
5UC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uc6 by Molmil](/molmil-images/mine/5uc6) | |
6BZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bzv by Molmil](/molmil-images/mine/6bzv) | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody 19B3 | Descriptor: | 19B3 GL Heavy Chain, 19B3 GL Light Chain, E2 AS412 peptide | Authors: | Tzarum, N, Aleman, F, Wilson, I.A, Law, M. | Deposit date: | 2017-12-26 | Release date: | 2018-06-20 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5C9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c9p by Molmil](/molmil-images/mine/5c9p) | Crystal structure of recombinant PLL lectin complexed with L-fucose from Photorhabdus luminescens at 1.75 A resolution | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose | Authors: | Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M. | Deposit date: | 2015-06-28 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure. J.Biol.Chem., 291, 2016
|
|
6HU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hu9 by Molmil](/molmil-images/mine/6hu9) | III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ... | Authors: | Hartley, A.M, Pinotsis, N, Marechal, A. | Deposit date: | 2018-10-05 | Release date: | 2018-12-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1. Nat. Struct. Mol. Biol., 26, 2019
|
|
4DV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dv7 by Molmil](/molmil-images/mine/4dv7) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A915G, bound with streptomycin | Descriptor: | 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Method: | X-RAY DIFFRACTION (3.294 Å) | Cite: | A structural basis for streptomycin resistance To be Published
|
|
7XKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xkm by Molmil](/molmil-images/mine/7xkm) | |
4DR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dr2 by Molmil](/molmil-images/mine/4dr2) | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with multiple copies of paromomycin molecules bound | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-16 | Release date: | 2012-11-14 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.249 Å) | Cite: | A structural basis for streptomycin-induced misreading of the genetic code. Nat Commun, 4, 2013
|
|