5QJV
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![BU of 5qjv by Molmil](/molmil-images/mine/5qjv) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-N-methylpyrimidin-2-amine, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QKB
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![BU of 5qkb by Molmil](/molmil-images/mine/5qkb) | Ground-state model of NUDT5 and corresponding apo datasets for PanDDA analysis | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-12-07 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5QJF
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![BU of 5qjf by Molmil](/molmil-images/mine/5qjf) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z52425517 | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QJU
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![BU of 5qju by Molmil](/molmil-images/mine/5qju) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z906021418 | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QKA
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![BU of 5qka by Molmil](/molmil-images/mine/5qka) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2377835233 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5O81
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![BU of 5o81 by Molmil](/molmil-images/mine/5o81) | |
5O9S
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![BU of 5o9s by Molmil](/molmil-images/mine/5o9s) | HsNMT1 in complex with CoA and Myristoylated-GKSNSKLK octapeptide | Descriptor: | CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | Authors: | Dian, C, Meinnel, T, Giglione, C. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol., 14, 2018
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5O91
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![BU of 5o91 by Molmil](/molmil-images/mine/5o91) | Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2017-06-15 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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5NWY
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![BU of 5nwy by Molmil](/molmil-images/mine/5nwy) | 2.9 A cryo-EM structure of VemP-stalled ribosome-nascent chain complex | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Su, T, Cheng, J, Sohmen, D, Hedman, R, Berninghausen, O, von Heijne, G, Wilson, D.N, Beckmann, R. | Deposit date: | 2017-05-08 | Release date: | 2017-07-19 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | The force-sensing peptide VemP employs extreme compaction and secondary structure formation to induce ribosomal stalling. Elife, 6, 2017
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5OCN
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![BU of 5ocn by Molmil](/molmil-images/mine/5ocn) | Crystal structure of the forkhead domain of human FOXN1 | Descriptor: | Forkhead box protein N1, POTASSIUM ION | Authors: | Newman, J.A, Aitkenhead, H, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-07-03 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the forkhead domain of human FOXN1 To be published
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5NSA
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![BU of 5nsa by Molmil](/molmil-images/mine/5nsa) | Beta domain of human transcobalamin bound to Co-beta-[2-(2,4-difluorophenyl)ethinyl]cobalamin | Descriptor: | 1-ethynyl-2,4-difluorobenzene, CALCIUM ION, COBALAMIN, ... | Authors: | Bloch, J.S, Ruetz, M, Krautler, B, Locher, K.P. | Deposit date: | 2017-04-25 | Release date: | 2017-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.273 Å) | Cite: | Structure of the human transcobalamin beta domain in four distinct states. PLoS ONE, 12, 2017
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5NVM
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5NSE
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![BU of 5nse by Molmil](/molmil-images/mine/5nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
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5NVN
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![BU of 5nvn by Molmil](/molmil-images/mine/5nvn) | Crystal structure of the human 4EHP-4E-BP1 complex | Descriptor: | Eukaryotic translation initiation factor 4E type 2, Eukaryotic translation initiation factor 4E-binding protein 1, FORMIC ACID | Authors: | Peter, D, Sandmeir, F, Valkov, E. | Deposit date: | 2017-05-04 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | GIGYF1/2 proteins use auxiliary sequences to selectively bind to 4EHP and repress target mRNA expression. Genes Dev., 31, 2017
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5OC0
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![BU of 5oc0 by Molmil](/molmil-images/mine/5oc0) | Structure of E. coli superoxide oxidase | Descriptor: | Cytochrome b561, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lundgren, C.A.K, Sjostrand, D, Biner, O, Bennett, M, von Ballmoos, C, Hogbom, M. | Deposit date: | 2017-06-29 | Release date: | 2018-06-20 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Scavenging of superoxide by a membrane-bound superoxide oxidase. Nat. Chem. Biol., 14, 2018
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5OC9
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![BU of 5oc9 by Molmil](/molmil-images/mine/5oc9) | Crystal Structure of human TMEM16K / Anoctamin 10 | Descriptor: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, Anoctamin-10, CALCIUM ION | Authors: | Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-29 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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5O5E
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![BU of 5o5e by Molmil](/molmil-images/mine/5o5e) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-01 | Release date: | 2018-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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5O2R
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![BU of 5o2r by Molmil](/molmil-images/mine/5o2r) | Cryo-EM structure of the proline-rich antimicrobial peptide Api137 bound to the terminating ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Graf, M, Berninghausen, O, Beckmann, R, Wilson, D.N. | Deposit date: | 2017-05-22 | Release date: | 2017-07-26 | Last modified: | 2019-02-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An antimicrobial peptide that inhibits translation by trapping release factors on the ribosome. Nat. Struct. Mol. Biol., 24, 2017
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5O9V
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![BU of 5o9v by Molmil](/molmil-images/mine/5o9v) | HsNMT1 in complex with CoA and Myristoylated-GGCFSKPK octapeptide | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ... | Authors: | Dian, C, Meinnel, T, Giglione, C. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol., 14, 2018
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5O7Z
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![BU of 5o7z by Molmil](/molmil-images/mine/5o7z) | |
5OFR
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![BU of 5ofr by Molmil](/molmil-images/mine/5ofr) | |
5OHZ
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5OHT
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![BU of 5oht by Molmil](/molmil-images/mine/5oht) | A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ | Descriptor: | CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5QJ9
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![BU of 5qj9 by Molmil](/molmil-images/mine/5qj9) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z768399682 | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-11-12 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QJM
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![BU of 5qjm by Molmil](/molmil-images/mine/5qjm) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024 | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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