1JFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jfx by Molmil](/molmil-images/mine/1jfx) | Crystal structure of the bacterial lysozyme from Streptomyces coelicolor at 1.65 A resolution | Descriptor: | 1,4-beta-N-Acetylmuramidase M1, CHLORIDE ION | Authors: | Rau, A, Hogg, T, Marquardt, R, Hilgenfeld, R. | Deposit date: | 2001-06-22 | Release date: | 2001-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A new lysozyme fold. Crystal structure of the muramidase from Streptomyces coelicolor at 1.65 A resolution. J.Biol.Chem., 276, 2001
|
|
2JBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jbk by Molmil](/molmil-images/mine/2jbk) | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid) | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mesters, J.R, Henning, K, Hilgenfeld, R. | Deposit date: | 2006-12-07 | Release date: | 2006-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2JBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jbj by Molmil](/molmil-images/mine/2jbj) | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid) | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mesters, J.R, Henning, K, Hilgenfeld, R. | Deposit date: | 2006-12-07 | Release date: | 2006-12-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa. Acta Crystallogr.,Sect.D, 63, 2007
|
|
5NFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nfs by Molmil](/molmil-images/mine/5nfs) | |
5NGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngn by Molmil](/molmil-images/mine/5ngn) | Lybatide 2, a cystine-rich peptide from Lycium barbarum | Descriptor: | ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R. | Deposit date: | 2017-03-18 | Release date: | 2017-07-26 | Last modified: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold. Sci Rep, 7, 2017
|
|
2VB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vb0 by Molmil](/molmil-images/mine/2vb0) | Crystal structure of coxsackievirus B3 proteinase 3C | Descriptor: | CHLORIDE ION, POLYPROTEIN 3BCD | Authors: | Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R. | Deposit date: | 2007-09-05 | Release date: | 2008-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Coxsackie Virus B3 Proteinase 3C To be Published
|
|
1F13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f13 by Molmil](/molmil-images/mine/1f13) | |
2XCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xci by Molmil](/molmil-images/mine/2xci) | Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form | Descriptor: | 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R. | Deposit date: | 2010-04-26 | Release date: | 2011-05-11 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4D4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d4z by Molmil](/molmil-images/mine/4d4z) | STRUCTURE OF HUMAN DEOXYHYPUSINE HYDROXYLASE in complex with glycerol | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
|
|
8C9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9l by Molmil](/molmil-images/mine/8c9l) | |
8C9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9o by Molmil](/molmil-images/mine/8c9o) | Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K | Descriptor: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Ibrahim, M, El Kilani, H, Hilgenfeld, R. | Deposit date: | 2023-01-23 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of SARS-CoV-2 Mpro_S144A mutant in complex with 13b-K To Be Published
|
|
8C9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9p by Molmil](/molmil-images/mine/8c9p) | |
8C9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9u by Molmil](/molmil-images/mine/8c9u) | |
8C9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c9q by Molmil](/molmil-images/mine/8c9q) | Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with 13b-K | Descriptor: | Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2023-01-23 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with 13b-K To Be Published
|
|
8CA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ca8 by Molmil](/molmil-images/mine/8ca8) | |
8CAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cac by Molmil](/molmil-images/mine/8cac) | Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Ibrahim, M, El Kilani, H, Hilgenfeld, R. | Deposit date: | 2023-01-24 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K To Be Published
|
|
8CA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ca6 by Molmil](/molmil-images/mine/8ca6) | |
8CAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8caj by Molmil](/molmil-images/mine/8caj) | Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K | Descriptor: | Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2023-01-24 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K To Be Published
|
|
2VRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vri by Molmil](/molmil-images/mine/2vri) | |
4D50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d50 by Molmil](/molmil-images/mine/4d50) | Structure of human deoxyhypusine hydroxylase | Descriptor: | DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, GUANIDINE, ... | Authors: | Han, Z, Sakai, N, Hilgenfeld, R. | Deposit date: | 2014-10-31 | Release date: | 2015-04-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015
|
|
3P39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p39 by Molmil](/molmil-images/mine/3p39) | |
3P38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p38 by Molmil](/molmil-images/mine/3p38) | |
2Y6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y6p by Molmil](/molmil-images/mine/2y6p) | Evidence for a Two-Metal-Ion-Mechanism in the Kdo- Cytidylyltransferase KdsB | Descriptor: | 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, BETA-MERCAPTOETHANOL, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Schmidt, H, Mesters, J.R, Mamat, U, Hilgenfeld, R. | Deposit date: | 2011-01-25 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evidence for a Two-Metal-Ion Mechanism in the Cytidyltransferase Kdsb, an Enzyme Involved in Lipopolysaccharide Biosynthesis. Plos One, 6, 2011
|
|
7AGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aga by Molmil](/molmil-images/mine/7aga) | Structure of SARS-CoV-2 Main Protease bound to AT7519 | Descriptor: | 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-22 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
7AHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aha by Molmil](/molmil-images/mine/7aha) | Structure of SARS-CoV-2 Main Protease bound to Maleate. | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-24 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|