6Z7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7i by Molmil](/molmil-images/mine/6z7i) | Crystal structure of CTX-M-15 E166Q mutant apoenzyme | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-05-31 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
|
|
6Z8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8z by Molmil](/molmil-images/mine/6z8z) | Copper transporter OprC | Descriptor: | Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
6DN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dn8 by Molmil](/molmil-images/mine/6dn8) | SPRY domain-containing SOCS box protein 2 complexed with (GZJ)VDINNN(CY3) Cyclic peptide inhibitor | Descriptor: | (GZJ)VDINNN(CY3) Cyclic peptide inhibitor, ACETATE ION, SPRY domain-containing SOCS box protein 4, ... | Authors: | Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S. | Deposit date: | 2018-06-06 | Release date: | 2019-04-17 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. ACS Chem. Biol., 13, 2018
|
|
1URC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1urc by Molmil](/molmil-images/mine/1urc) | Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-10-28 | Release date: | 2003-10-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Org. Biomol. Chem., 2, 2004
|
|
6Z7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7k by Molmil](/molmil-images/mine/6z7k) | Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam | Descriptor: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-05-31 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
|
|
6Z8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8y by Molmil](/molmil-images/mine/6z8y) | Copper transporter OprC | Descriptor: | Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
1GES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ges by Molmil](/molmil-images/mine/1ges) | |
6Z9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z9n by Molmil](/molmil-images/mine/6z9n) | Copper transporter OprC | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5HST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hst by Molmil](/molmil-images/mine/5hst) | |
6TTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tto by Molmil](/molmil-images/mine/6tto) | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
|
|
6DNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dnl by Molmil](/molmil-images/mine/6dnl) | Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form | Descriptor: | ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION | Authors: | Smith, R.P, Heras, B, Paxman, J.J. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. Chem., 293, 2018
|
|
4NNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nnn by Molmil](/molmil-images/mine/4nnn) | yCP in complex with MG132 | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-18 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
6Z9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z9y by Molmil](/molmil-images/mine/6z9y) | Copper transporter OprC | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5VY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vy9 by Molmil](/molmil-images/mine/5vy9) | S. cerevisiae Hsp104:casein complex, Middle Domain Conformation | Descriptor: | Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
|
|
6TRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6trc by Molmil](/molmil-images/mine/6trc) | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Mielke, T, Lisdat, F, Zouni, A, Wendler, P. | Deposit date: | 2019-12-18 | Release date: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I Curr.Opin.Struct.Biol., 2, 2020
|
|
6ZGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgr by Molmil](/molmil-images/mine/6zgr) | Crystal structure of a MFS transporter with bound 1-hydroxynaphthalene-2-carboxylic acid at 2.67 Angstroem resolution | Descriptor: | 1-hydroxynaphthalene-2-carboxylic acid, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
|
|
6ZGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgu by Molmil](/molmil-images/mine/6zgu) | Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at 2.41 Angstroem resolution | Descriptor: | 3-(2-methylphenyl)propanoic acid, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
|
|
6ZGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgt by Molmil](/molmil-images/mine/6zgt) | Crystal structure of a MFS transporter with bound 2-naphthoic acid at 2.39 Angstroem resolution | Descriptor: | L-lactate transporter, naphthalene-2-carboxylic acid | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
|
|
6ZGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgs by Molmil](/molmil-images/mine/6zgs) | Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution | Descriptor: | HYDROCINNAMIC ACID, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
|
|
3FZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fz2 by Molmil](/molmil-images/mine/3fz2) | Crystal structure of the tail terminator protein from phage lambda (gpU-D74A) | Descriptor: | Minor tail protein U, SULFATE ION | Authors: | Pell, L.G, Liu, A, Edmonds, E, Donaldson, L.W, Howell, P.L, Davidson, A.R. | Deposit date: | 2009-01-23 | Release date: | 2009-05-26 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The X-ray crystal structure of the phage lambda tail terminator protein reveals the biologically relevant hexameric ring structure and demonstrates a conserved mechanism of tail termination among diverse long-tailed phages. J.Mol.Biol., 389, 2009
|
|
1G6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g6c by Molmil](/molmil-images/mine/1g6c) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-11-03 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
|
|
7R74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r74 by Molmil](/molmil-images/mine/7r74) | |
7QZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzu by Molmil](/molmil-images/mine/7qzu) | Structure of liver pyruvate kinase in complex with anthraquinone derivative 47 | Descriptor: | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | Deposit date: | 2022-01-31 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase. Eur.J.Med.Chem., 234, 2022
|
|
1UV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uv6 by Molmil](/molmil-images/mine/1uv6) | X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine | Descriptor: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, ACETYLCHOLINE-BINDING PROTEIN | Authors: | Celie, P.H.N, Van Rossum-fikkert, S.E, Van Dijk, W.J, Brejc, K, Smit, A.B, Sixma, T.K. | Deposit date: | 2004-01-15 | Release date: | 2004-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nicotine and Carbamylcholine Binding to Nicotinic Acetylcholine Receptors as Studied in Achbp Crystal Structures Neuron, 41, 2004
|
|
6ZMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zmc by Molmil](/molmil-images/mine/6zmc) | Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ... | Authors: | Carpentier, P, Atta, M. | Deposit date: | 2020-07-02 | Release date: | 2020-09-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction. Nucleic Acids Res., 48, 2020
|
|