5RZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rzy by Molmil](/molmil-images/mine/5rzy) | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z219104216 | Descriptor: | 1,2-ETHANEDIOL, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
|
|
5RYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rys by Molmil](/molmil-images/mine/5rys) | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1593306637 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
|
|
5RZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rz4 by Molmil](/molmil-images/mine/5rz4) | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434909 | Descriptor: | (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
|
|
5RZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rzl by Molmil](/molmil-images/mine/5rzl) | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1492796719 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
|
|
5S18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s18 by Molmil](/molmil-images/mine/5s18) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461 | Descriptor: | 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
5ETJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5etj by Molmil](/molmil-images/mine/5etj) | Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Cameron, S.A, Suarez, J, Schramm, V.L, Almo, S.C. | Deposit date: | 2015-11-17 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics. J.Am.Chem.Soc., 138, 2016
|
|
5EUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5euj by Molmil](/molmil-images/mine/5euj) | PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2015-11-18 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of pyruvate decarboxylase from Zymobacter palmae. Acta Crystallogr.,Sect.F, 72, 2016
|
|
5F81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f81 by Molmil](/molmil-images/mine/5f81) | Acoustic injectors for drop-on-demand serial femtosecond crystallography | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | Deposit date: | 2015-12-08 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography. Structure, 24, 2016
|
|
5E57
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e57 by Molmil](/molmil-images/mine/5e57) | Crystal structure of Mycobacterium smegmatis AmtR | Descriptor: | ACETATE ION, Transcription regulator AmtR | Authors: | Vickers, C.J, McKenzie, J.L, Arcus, V.L. | Deposit date: | 2015-10-07 | Release date: | 2016-09-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and Function of AmtR in Mycobacterium smegmatis: Implications for Post-Transcriptional Regulation of Urea Metabolism through a Small Antisense RNA. J.Mol.Biol., 428, 2016
|
|
8UCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uci by Molmil](/molmil-images/mine/8uci) | Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
|
|
8UCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ucg by Molmil](/molmil-images/mine/8ucg) | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
|
|
8UCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uch by Molmil](/molmil-images/mine/8uch) | Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
|
|
8UCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ucf by Molmil](/molmil-images/mine/8ucf) | Thermophilic RNA Ligase from Palaeococcus pacificus K238G | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
|
|
8UCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uce by Molmil](/molmil-images/mine/8uce) | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | Deposit date: | 2023-09-26 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res., 52, 2024
|
|
5EUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eub by Molmil](/molmil-images/mine/5eub) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C. | Deposit date: | 2015-11-18 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate To be published
|
|
4GKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gka by Molmil](/molmil-images/mine/4gka) | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with phosphate | Descriptor: | GLYCEROL, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Haapalainen, A.M, Ho, M.C, Suarez, J.J, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-08-10 | Release date: | 2013-02-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic Site Conformations in Human PNP by (19)F-NMR and Crystallography. Chem.Biol., 20, 2013
|
|
4GPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpx by Molmil](/molmil-images/mine/4gpx) | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P212121 form) | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | Deposit date: | 2012-08-22 | Release date: | 2013-04-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
|
|
4GPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpw by Molmil](/molmil-images/mine/4gpw) | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form) | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | Deposit date: | 2012-08-22 | Release date: | 2013-04-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
|
|
4GPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpy by Molmil](/molmil-images/mine/4gpy) | Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | Deposit date: | 2012-08-22 | Release date: | 2013-04-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
|
|
4GBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gbd by Molmil](/molmil-images/mine/4gbd) | Crystal Structure Of Adenosine Deaminase From Pseudomonas Aeruginosa Pao1 with bound Zn and methylthio-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, PHOSPHATE ION, Putative uncharacterized protein, ... | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | Deposit date: | 2012-07-27 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa. Biochemistry, 51, 2012
|
|
4JOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jos by Molmil](/molmil-images/mine/4jos) | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ... | Authors: | Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-18 | Release date: | 2013-04-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) to be published
|
|
7NNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nnj by Molmil](/molmil-images/mine/7nnj) | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) | Descriptor: | 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ... | Authors: | Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F. | Deposit date: | 2021-02-24 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) To Be Published
|
|
7N2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n2y by Molmil](/molmil-images/mine/7n2y) | |
7N2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n2z by Molmil](/molmil-images/mine/7n2z) | Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site | Descriptor: | CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ... | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc., 143, 2021
|
|
7MLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mlp by Molmil](/molmil-images/mine/7mlp) | Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid, Ricin, ... | Authors: | Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2021-04-28 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
|
|