5QJO
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![BU of 5qjo by Molmil](/molmil-images/mine/5qjo) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z57292369 | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide, 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 (1.98 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI0
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![BU of 5qi0 by Molmil](/molmil-images/mine/5qi0) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000352a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QRH
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![BU of 5qrh by Molmil](/molmil-images/mine/5qrh) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32327641 | Descriptor: | CADMIUM ION, T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | Authors: | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QS7
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![BU of 5qs7 by Molmil](/molmil-images/mine/5qs7) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641 | Descriptor: | T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QRS
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![BU of 5qrs by Molmil](/molmil-images/mine/5qrs) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1891773393 | Descriptor: | CADMIUM ION, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOO
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![BU of 5qoo by Molmil](/molmil-images/mine/5qoo) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000144a | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide, ACETATE ION, ... | Authors: | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QXP
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![BU of 5qxp by Molmil](/molmil-images/mine/5qxp) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXQ
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![BU of 5qxq by Molmil](/molmil-images/mine/5qxq) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXT
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![BU of 5qxt by Molmil](/molmil-images/mine/5qxt) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QS4
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![BU of 5qs4 by Molmil](/molmil-images/mine/5qs4) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160 | Descriptor: | CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RGT
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![BU of 5rgt by Molmil](/molmil-images/mine/5rgt) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide | 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: | 2020-05-15 | Release date: | 2020-05-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen To Be Published
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7UL4
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![BU of 7ul4 by Molmil](/molmil-images/mine/7ul4) | CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6 | Descriptor: | Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine | Authors: | Robertson, M.J, Skiniotis, G. | Deposit date: | 2022-04-03 | Release date: | 2022-06-29 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure determination of inactive-state GPCRs with a universal nanobody. Nat.Struct.Mol.Biol., 29, 2022
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5OML
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![BU of 5oml by Molmil](/molmil-images/mine/5oml) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope | Descriptor: | (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | Authors: | Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2017-08-01 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope To Be Published
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5OW2
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![BU of 5ow2 by Molmil](/molmil-images/mine/5ow2) | Japanese encephalitis virus capsid protein | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, capsid protein | Authors: | Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of the Japanese Encephalitis Virus Capsid Protein. Viruses, 11, 2019
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5O19
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![BU of 5o19 by Molmil](/molmil-images/mine/5o19) | |
6VD7
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![BU of 6vd7 by Molmil](/molmil-images/mine/6vd7) | |
6M67
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![BU of 6m67 by Molmil](/molmil-images/mine/6m67) | The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation | Descriptor: | Pannexin-1 | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | Deposit date: | 2020-03-13 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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6M66
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![BU of 6m66 by Molmil](/molmil-images/mine/6m66) | The Cryo-EM Structure of Human Pannexin 1 | Descriptor: | Pannexin-1 | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | Deposit date: | 2020-03-13 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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6M02
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![BU of 6m02 by Molmil](/molmil-images/mine/6m02) | cryo-EM structure of human Pannexin 1 channel | Descriptor: | Pannexin-1 | Authors: | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | Deposit date: | 2020-02-19 | Release date: | 2020-03-25 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of human heptameric Pannexin 1 channel. Cell Res., 30, 2020
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6LTO
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![BU of 6lto by Molmil](/molmil-images/mine/6lto) | cryo-EM structure of full length human Pannexin1 | Descriptor: | Pannexin-1 | Authors: | Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D. | Deposit date: | 2020-01-23 | Release date: | 2020-05-13 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for gating mechanism of Pannexin 1 channel. Cell Res., 30, 2020
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6M68
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![BU of 6m68 by Molmil](/molmil-images/mine/6m68) | The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX | Descriptor: | Pannexin-1 | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | Deposit date: | 2020-03-13 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Cryo-EM structures of human pannexin 1 channel. Cell Res., 30, 2020
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6LTN
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![BU of 6ltn by Molmil](/molmil-images/mine/6ltn) | cryo-EM structure of C-terminal truncated human Pannexin1 | Descriptor: | Pannexin-1 | Authors: | Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D. | Deposit date: | 2020-01-23 | Release date: | 2020-05-13 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for gating mechanism of Pannexin 1 channel. Cell Res., 30, 2020
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8HWQ
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![BU of 8hwq by Molmil](/molmil-images/mine/8hwq) | |
7XLB
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![BU of 7xlb by Molmil](/molmil-images/mine/7xlb) | |
7XL6
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![BU of 7xl6 by Molmil](/molmil-images/mine/7xl6) | |