4OAJ
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5RM7
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![BU of 5rm7 by Molmil](/molmil-images/mine/5rm7) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z69118333 | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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6HN9
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![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
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5REY
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![BU of 5rey by Molmil](/molmil-images/mine/5rey) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911 | Descriptor: | 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RMJ
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![BU of 5rmj by Molmil](/molmil-images/mine/5rmj) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z68299550 | Descriptor: | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RF6
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![BU of 5rf6 by Molmil](/molmil-images/mine/5rf6) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1348371854 | Descriptor: | 3C-like proteinase, 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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1T2K
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![BU of 1t2k by Molmil](/molmil-images/mine/1t2k) | Structure Of The DNA Binding Domains Of IRF3, ATF-2 and Jun Bound To DNA | Descriptor: | 31-MER, Cyclic-AMP-dependent transcription factor ATF-2, Interferon regulatory factor 3, ... | Authors: | Panne, D, Maniatis, T, Harrison, S.C. | Deposit date: | 2004-04-21 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of ATF-2/c-Jun and IRF-3 bound to the interferon-beta enhancer. Embo J., 23, 2004
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1D60
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![BU of 1d60 by Molmil](/molmil-images/mine/1d60) | THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: TRIGONAL FORM | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3'), MAGNESIUM ION | Authors: | Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E. | Deposit date: | 1992-02-26 | Release date: | 1993-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA. Biochemistry, 32, 1993
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5Q27
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![BU of 5q27 by Molmil](/molmil-images/mine/5q27) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000421a | Descriptor: | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | 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 (1.83 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3WFJ
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![BU of 3wfj by Molmil](/molmil-images/mine/3wfj) | The complex structure of D-mandelate dehydrogenase with NADH | Descriptor: | 2-dehydropantoate 2-reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Miyanaga, A, Fujisawa, S, Furukawa, N, Arai, K, Nakajima, M, Taguchi, H. | Deposit date: | 2013-07-19 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of D-mandelate dehydrogenase reveals its distinct substrate and coenzyme recognition mechanisms from those of 2-ketopantoate reductase. Biochem.Biophys.Res.Commun., 439, 2013
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3WFI
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![BU of 3wfi by Molmil](/molmil-images/mine/3wfi) | The crystal structure of D-mandelate dehydrogenase | Descriptor: | 2-dehydropantoate 2-reductase | Authors: | Miyanaga, A, Fujisawa, S, Furukawa, N, Arai, K, Nakajima, M, Taguchi, H. | Deposit date: | 2013-07-19 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | The crystal structure of D-mandelate dehydrogenase reveals its distinct substrate and coenzyme recognition mechanisms from those of 2-ketopantoate reductase. Biochem.Biophys.Res.Commun., 439, 2013
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5AHT
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5GO0
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4OV2
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4MUX
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![BU of 4mux by Molmil](/molmil-images/mine/4mux) | IspH in complex with pyridin-3-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4MS6
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![BU of 4ms6 by Molmil](/molmil-images/mine/4ms6) | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue | Descriptor: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, ACETIC ACID, Leukotriene A-4 hydrolase, ... | Authors: | Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-09-18 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc.Natl.Acad.Sci.USA, 111, 2014
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4MV5
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![BU of 4mv5 by Molmil](/molmil-images/mine/4mv5) | IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate | Descriptor: | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4NSW
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![BU of 4nsw by Molmil](/molmil-images/mine/4nsw) | Crystal structure of the BAR-PH domain of ACAP1 | Descriptor: | Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1 | Authors: | Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F. | Deposit date: | 2013-11-29 | Release date: | 2014-10-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A PH Domain in ACAP1 Possesses Key Features of the BAR Domain in Promoting Membrane Curvature Dev.Cell, 31, 2014
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5HD3
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2PIS
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![BU of 2pis by Molmil](/molmil-images/mine/2pis) | Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs | Descriptor: | DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E. | Deposit date: | 2007-04-13 | Release date: | 2007-10-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs. J.Am.Chem.Soc., 129, 2007
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4MUY
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![BU of 4muy by Molmil](/molmil-images/mine/4muy) | IspH in complex with pyridin-4-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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5HDC
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5HDD
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4MKT
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![BU of 4mkt by Molmil](/molmil-images/mine/4mkt) | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue and 4-(4-benzylphenyl)thiazol-2-amine | Descriptor: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, 4-(4-benzylphenyl)-1,3-thiazol-2-amine, ACETIC ACID, ... | Authors: | Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-09-05 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.618 Å) | Cite: | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc.Natl.Acad.Sci.USA, 111, 2014
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5HDS
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