6TUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tuu by Molmil](/molmil-images/mine/6tuu) | Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid | Descriptor: | 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ... | Authors: | Pantelejevs, T, Hyvonen, M. | Deposit date: | 2020-01-08 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Development of dedicated crystallographic systems for structure-guided drug discovery To Be Published
|
|
6U9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u9x by Molmil](/molmil-images/mine/6u9x) | Structure of T. brucei MERS1-RNA complex | Descriptor: | Mitochondrial edited mRNA stability factor 1, RNA (5'-R(*GP*AP*GP*AP*GP*GP*GP*GP*GP*UP*U)-3') | Authors: | Schumacher, M.A. | Deposit date: | 2019-09-09 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
|
|
6B5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b5x by Molmil](/molmil-images/mine/6b5x) | Beta-Lactamase, unmixed shards crystal form | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Pandey, S. | Deposit date: | 2017-09-29 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
|
|
6B6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b6f by Molmil](/molmil-images/mine/6b6f) | |
2P86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p86 by Molmil](/molmil-images/mine/2p86) | The high resolution crystal structure of rhodesain, the major cathepsin L protease from T. brucei rhodesiense, bound to inhibitor K11002 | Descriptor: | 1,2-ETHANEDIOL, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, Cysteine protease | Authors: | Brinen, L.S, Marion, R. | Deposit date: | 2007-03-21 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | THE high resolution structure of rhodesain, the major cathepsin L protease from trypanosoma brucei rhodesiense, illustrates the basis for differences in inhibition profiles from other papain family cysteine proteases To be Published
|
|
5R85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r85 by Molmil](/molmil-images/mine/5r85) | |
4KS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ks0 by Molmil](/molmil-images/mine/4ks0) | Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-05-17 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies. R Soc Open Sci, 1, 2014
|
|
5S8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s8v by Molmil](/molmil-images/mine/5s8v) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
|
|
2M6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m6y by Molmil](/molmil-images/mine/2m6y) | The solution structure of the J-domain of human DnaJA1 | Descriptor: | DnaJ homolog subfamily A member 1 | Authors: | Stark, J.L, Mehla, K, Chaika, N, Acton, T.B, Xiao, R, Singh, P.K, Montelione, G.T, Powers, R, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-14 | Release date: | 2013-06-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer. Biochemistry, 53, 2014
|
|
6P5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5r by Molmil](/molmil-images/mine/6p5r) | Structure of T. brucei MERS1-GDP complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial edited mRNA stability factor 1 | Authors: | Schumacher, M.A. | Deposit date: | 2019-05-30 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
|
|
4JIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jib by Molmil](/molmil-images/mine/4jib) | Crystal structure of of PDE2-inhibitor complex | Descriptor: | 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Pandit, J. | Deposit date: | 2013-03-05 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
6BQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bq0 by Molmil](/molmil-images/mine/6bq0) | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | Descriptor: | 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione, Monoglyceride lipase | Authors: | Pandit, J. | Deposit date: | 2017-11-27 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. J. Med. Chem., 61, 2018
|
|
4TOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4toy by Molmil](/molmil-images/mine/4toy) | |
4KCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kcu by Molmil](/molmil-images/mine/4kcu) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, D-MALATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
|
|
3TIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tik by Molmil](/molmil-images/mine/3tik) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one | Descriptor: | 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51) | Authors: | Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2011-08-20 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib. Antimicrob.Agents Chemother., 56, 2012
|
|
2N7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n7p by Molmil](/molmil-images/mine/2n7p) | Solution structure of PDZ domain | Descriptor: | Putative uncharacterized protein | Authors: | Mei, S. | Deposit date: | 2015-09-17 | Release date: | 2015-10-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of Q388A3 PDZ domain from Trypanosoma brucei and its interaction with OMP-like peptide To be Published
|
|
6B5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b5t by Molmil](/molmil-images/mine/6b5t) | Structure of PfCSP peptide 29 with human antibody CIS42 | Descriptor: | AMMONIUM ION, CIS42 Fab Heavy chain, CIS42 Fab Light chain, ... | Authors: | Pancera, M, Weidle, C. | Deposit date: | 2017-09-29 | Release date: | 2018-03-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite. Nat. Med., 24, 2018
|
|
7TAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tan by Molmil](/molmil-images/mine/7tan) | Structure of VRK1 C-terminal tail bound to nucleosome core particle | Descriptor: | Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, Histone H3.2, ... | Authors: | Spangler, C.J, Budziszewski, G.R, McGinty, R.K. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Multivalent DNA and nucleosome acidic patch interactions specify VRK1 mitotic localization and activity. Nucleic Acids Res., 50, 2022
|
|
8ALS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8als by Molmil](/molmil-images/mine/8als) | |
6Y1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1e by Molmil](/molmil-images/mine/6y1e) | Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid, GLUTATHIONE, ... | Authors: | Pandian, R, Worth, R, Thangaraj, V, Sayed, Y, Dirr, H.W. | Deposit date: | 2020-02-12 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | The interaction of IAA-94 with the soluble conformation of the CLIC1 protein and its structural homolog hGSTP1-1 To Be Published
|
|
8AIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aih by Molmil](/molmil-images/mine/8aih) | Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase at 1.9 Angstroms Resolution | Descriptor: | DIHYDROGENPHOSPHATE ION, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | Deposit date: | 2022-07-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies. Int.J.Biol.Macromol., 250, 2023
|
|
8AII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aii by Molmil](/molmil-images/mine/8aii) | High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ... | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | Deposit date: | 2022-07-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies. Int.J.Biol.Macromol., 250, 2023
|
|
8BHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bhz by Molmil](/molmil-images/mine/8bhz) | |
6QPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qpw by Molmil](/molmil-images/mine/6qpw) | Structural basis of cohesin ring opening | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sister chromatid cohesion protein 1, ... | Authors: | Panne, D, Muir, K.W, Li, Y, Weis, F. | Deposit date: | 2019-02-15 | Release date: | 2020-02-05 | Last modified: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening. Nat.Struct.Mol.Biol., 27, 2020
|
|
7UO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uo6 by Molmil](/molmil-images/mine/7uo6) | |