4AFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4afr by Molmil](/molmil-images/mine/4afr) | THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI | Descriptor: | METACASPASE | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1W9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w9y by Molmil](/molmil-images/mine/1w9y) | The structure of ACC oxidase | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, SULFATE ION | Authors: | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | Deposit date: | 2004-10-20 | Release date: | 2005-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme) Chem.Biol., 11, 2004
|
|
3GRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3grt by Molmil](/molmil-images/mine/3grt) | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | Descriptor: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | Deposit date: | 1997-02-12 | Release date: | 1997-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
|
|
1AK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ak9 by Molmil](/molmil-images/mine/1ak9) | SUBTILISIN MUTANT 8321 | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | Deposit date: | 1997-05-30 | Release date: | 1997-11-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding. Biochemistry, 28, 1989
|
|
6HN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hn9 by Molmil](/molmil-images/mine/6hn9) | Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain | Descriptor: | Nicomicin-1 | Authors: | Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V. | Deposit date: | 2018-09-14 | Release date: | 2018-11-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain. Mar Drugs, 16, 2018
|
|
1EZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ezf by Molmil](/molmil-images/mine/1ezf) | CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE | Descriptor: | FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE, N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID | Authors: | Pandit, J, Danley, D.E, Schulte, G.K, Mazzalupo, S.M, Pauly, T.A, Hayward, C.M, Hamanaka, E.S, Thompson, J.F, Harwood, H.J. | Deposit date: | 2000-05-10 | Release date: | 2000-10-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis. J.Biol.Chem., 275, 2000
|
|
5Q1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q1x by Molmil](/molmil-images/mine/5q1x) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000085a | Descriptor: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5Q1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q1s by Molmil](/molmil-images/mine/5q1s) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with BDOOA011525c | Descriptor: | DNA cross-link repair 1A protein, MALONATE ION, NICKEL (II) ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5XPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xpj by Molmil](/molmil-images/mine/5xpj) | |
8V7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v7r by Molmil](/molmil-images/mine/8v7r) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 | Descriptor: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56772132 To Be Published
|
|
8V7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v7u by Molmil](/molmil-images/mine/8v7u) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 To Be Published
|
|
5JW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jw8 by Molmil](/molmil-images/mine/5jw8) | |
5NI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ni4 by Molmil](/molmil-images/mine/5ni4) | |
6CAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cae by Molmil](/molmil-images/mine/6cae) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with NOSO-95179 antibiotic and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Pantel, L, Florin, T, Dobosz-Bartoszek, M, Racine, E, Sarciaux, M, Serri, M, Houard, J, Campagne, J.M, Marcia de Figueiredo, R, Midrier, C, Gaudriault, S, Givaudan, A, Lanois, A, Forst, S, Aumelas, A, Cotteaux-Lautard, C, Bolla, J.M, Vingsbo Lundberg, C, Huseby, D, Hughes, D, Villain-Guillot, P, Mankin, A.S, Polikanov, Y.S, Gualtieri, M. | Deposit date: | 2018-01-30 | Release date: | 2018-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Odilorhabdins, Antibacterial Agents that Cause Miscoding by Binding at a New Ribosomal Site. Mol. Cell, 70, 2018
|
|
1GMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
|
|
5IHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ihf by Molmil](/molmil-images/mine/5ihf) | |
5IO8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5io8 by Molmil](/molmil-images/mine/5io8) | Salmonella Typhimurium VirG-like (STV) protein at 2.19 Angstrom resolution solved by Iodine SAD. | Descriptor: | IODIDE ION, PHOSPHATE ION, SODIUM ION, ... | Authors: | Pandey, N.K, Ray, S, Suar, M, Bhavesh, N.S. | Deposit date: | 2016-03-08 | Release date: | 2017-03-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | Salmonella Typhimurium VirG-like (STV) protein at at 2.19 Angstrom resolution by SAD. To Be Published
|
|
5KDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kde by Molmil](/molmil-images/mine/5kde) | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | Descriptor: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem. Biol., 11, 2016
|
|
1YL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yl1 by Molmil](/molmil-images/mine/1yl1) | Effect of alcohols on protein hydration | Descriptor: | Lysozyme C, SODIUM ION, TRIFLUOROETHANOL | Authors: | Deshpande, A.A, Nimsadkar, S, Mande, S.C. | Deposit date: | 2005-01-18 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols. Acta Crystallogr.,Sect.D, 61, 2005
|
|
5Q1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q1j by Molmil](/molmil-images/mine/5q1j) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMSOA000341b | Descriptor: | DNA cross-link repair 1A protein, MALONATE ION, N-(2-hydroxyphenyl)acetamide, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
6C5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c5f by Molmil](/molmil-images/mine/6c5f) | |
6G6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6v by Molmil](/molmil-images/mine/6g6v) | |
5KDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kdf by Molmil](/molmil-images/mine/5kdf) | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ... | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. ACS Chem. Biol., 11, 2016
|
|
5Q1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q1l by Molmil](/molmil-images/mine/5q1l) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000073a | Descriptor: | (6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5Q1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q1q by Molmil](/molmil-images/mine/5q1q) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000294a | Descriptor: | 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, DNA cross-link repair 1A protein, MALONATE ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|