1B41
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![BU of 1b41 by Molmil](/molmil-images/mine/1b41) | HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH FASCICULIN-II, GLYCOSYLATED PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Kryger, G, Harel, M, Shafferman, A, Silman, I, Sussman, J.L. | Deposit date: | 1999-01-05 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II. Acta Crystallogr.,Sect.D, 56, 2000
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6VW0
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![BU of 6vw0 by Molmil](/molmil-images/mine/6vw0) | Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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1ZG8
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![BU of 1zg8 by Molmil](/molmil-images/mine/1zg8) | Crystal Structure of (R)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B | Descriptor: | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B | Authors: | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | Deposit date: | 2005-04-20 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b. Biochemistry, 44, 2005
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6GO3
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![BU of 6go3 by Molmil](/molmil-images/mine/6go3) | TdT chimera (Loop1 of pol mu) - apoenzyme | Descriptor: | DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase | Authors: | Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M. | Deposit date: | 2018-06-01 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction. J.Biol.Chem., 294, 2019
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8DS6
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8DRH
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![BU of 8drh by Molmil](/molmil-images/mine/8drh) | HIGH RESOLUTION NMR STRUCTURE OF THE D(GCGTCAGG)R(CCUGACGC) HYBRID, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*CP*AP*GP*G)-3'), RNA (5'-R(*CP*CP*UP*GP*AP*CP*GP*C)-3') | Authors: | Bachelin, M, Hessler, G, Kurz, G, Hacia, J.G, Dervan, P.B, Kessler, H. | Deposit date: | 1997-10-13 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a Stereoregular Phosphorothioate DNA/RNA Duplex Nat.Struct.Biol., 5, 1998
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6NPN
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![BU of 6npn by Molmil](/molmil-images/mine/6npn) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | Descriptor: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-18 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor To Be Published
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2NV7
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![BU of 2nv7 by Molmil](/molmil-images/mine/2nv7) | Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 | Descriptor: | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-11-10 | Release date: | 2007-08-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives. Bioorg.Med.Chem.Lett., 17, 2007
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1A1J
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![BU of 1a1j by Molmil](/molmil-images/mine/1a1j) | RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE) | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (RADR ZIF268 ZINC FINGER PEPTIDE), ... | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | Deposit date: | 1997-12-10 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition. Structure, 6, 1998
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7OD0
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![BU of 7od0 by Molmil](/molmil-images/mine/7od0) | Mirolysin in complex with compound 9 | Descriptor: | 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ... | Authors: | Zak, K.M, Bostock, M.J, Ksiazek, M. | Deposit date: | 2021-04-28 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia . J Enzyme Inhib Med Chem, 36, 2021
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6NPO
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![BU of 6npo by Molmil](/molmil-images/mine/6npo) | Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain) | Descriptor: | Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ... | Authors: | Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-18 | Release date: | 2019-02-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of oligopeptide ABC transporter from
Bacillus anthracis str. Ames (substrate-binding domain) To Be Published
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4LS3
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![BU of 4ls3 by Molmil](/molmil-images/mine/4ls3) | THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL | Descriptor: | HISTIDINE, NICKEL (II) ION, Nickel (III) ABC transporter, ... | Authors: | Salamina, M, Shaik, M.M, Cendron, L, Zanotti, G. | Deposit date: | 2013-07-22 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores. Mol.Microbiol., 91, 2014
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6Q7T
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![BU of 6q7t by Molmil](/molmil-images/mine/6q7t) | ERK2 mini-fragment binding | Descriptor: | 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-13 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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7NWF
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![BU of 7nwf by Molmil](/molmil-images/mine/7nwf) | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with hybrid-type glycan (GalGlcNAcMan5GlcNAc) product | Descriptor: | Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Garcia-Alija, M, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2021-03-16 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GH18 endo-beta-N-acetylglucosaminidases use distinct mechanisms to process hybrid-type N-linked glycans. J.Biol.Chem., 297, 2021
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1ZMB
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![BU of 1zmb by Molmil](/molmil-images/mine/1zmb) | Crystal Structure of the Putative Acetylxylan Esterase from Clostridium acetobutylicum, Northeast Structural Genomics Target CaR6 | Descriptor: | Acetylxylan esterase related enzyme | Authors: | Forouhar, F, Vorobiev, S.M, Abashidze, M, Ciao, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-05-10 | Release date: | 2005-05-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structure of the Putative Acetylxylan Esterase from Clostridium acetobutylicum, Northeast Structural Genomics Target CaR6 To be Published
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6Q47
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1ZMY
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![BU of 1zmy by Molmil](/molmil-images/mine/1zmy) | cAbBCII-10 VHH framework with CDR loops of cAbLys3 grafted on it and in complex with hen egg white lysozyme | Descriptor: | Antibody cabbcII-10:lys3, Lysozyme C | Authors: | Saerens, D, Pellis, M, Loris, R, Pardon, E, Dumoulin, M, Matagne, A, Wyns, L, Muyldermans, S, Conrath, K. | Deposit date: | 2005-05-11 | Release date: | 2005-10-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of a universal VHH framework to graft non-canonical antigen-binding loops of camel single-domain antibodies J.Mol.Biol., 352, 2005
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6QAH
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![BU of 6qah by Molmil](/molmil-images/mine/6qah) | ERK2 mini-fragment binding | Descriptor: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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8A7O
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![BU of 8a7o by Molmil](/molmil-images/mine/8a7o) | |
2NSY
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![BU of 2nsy by Molmil](/molmil-images/mine/2nsy) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rizzi, M, Bolognesi, M, Coda, A. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel deamido-NAD+-binding site revealed by the trapped NAD-adenylate intermediate in the NAD+ synthetase structure. Structure, 6, 1998
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6QBM
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![BU of 6qbm by Molmil](/molmil-images/mine/6qbm) | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Carivenc, C, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A To Be Published
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8A7T
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![BU of 8a7t by Molmil](/molmil-images/mine/8a7t) | |
6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | Deposit date: | 2018-12-21 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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6Q61
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![BU of 6q61 by Molmil](/molmil-images/mine/6q61) | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | Descriptor: | Kunitz-type conkunitzin-S1, SULFATE ION | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | Deposit date: | 2018-12-10 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels. Proc.Natl.Acad.Sci.USA, 116, 2019
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6ND4
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![BU of 6nd4 by Molmil](/molmil-images/mine/6nd4) | Conformational switches control early maturation of the eukaryotic small ribosomal subunit | Descriptor: | 18S rRNA 5' domain start, 5'ETS rRNA, Bud21, ... | Authors: | Hunziker, M, Barandun, J, Klinge, S. | Deposit date: | 2018-12-13 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Conformational switches control early maturation of the eukaryotic small ribosomal subunit. Elife, 8, 2019
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