4WKI
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4WK7
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![BU of 4wk7 by Molmil](/molmil-images/mine/4wk7) | Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide) | Descriptor: | 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ... | Authors: | Durbin, J.D, Stout, S.L. | Deposit date: | 2014-10-01 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J.Med.Chem., 57, 2014
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4URY
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![BU of 4ury by Molmil](/molmil-images/mine/4ury) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | GTPASE HRAS, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4US0
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![BU of 4us0 by Molmil](/molmil-images/mine/4us0) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, GTPase HRas, Son of sevenless homolog 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URZ
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![BU of 4urz by Molmil](/molmil-images/mine/4urz) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URX
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![BU of 4urx by Molmil](/molmil-images/mine/4urx) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URV
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![BU of 4urv by Molmil](/molmil-images/mine/4urv) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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1CGC
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1D26
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![BU of 1d26 by Molmil](/molmil-images/mine/1d26) | |
4V1U
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4V1V
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![BU of 4v1v by Molmil](/molmil-images/mine/4v1v) | Heterocyclase in complex with substrate and Cofactor | Descriptor: | LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Koehnke, J, Naismith, J.H. | Deposit date: | 2014-10-02 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing. Nat.Chem.Biol., 11, 2015
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4V1T
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4WWS
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6ON5
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![BU of 6on5 by Molmil](/molmil-images/mine/6on5) | |
6ON8
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5SWN
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![BU of 5swn by Molmil](/molmil-images/mine/5swn) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate - Cocrystallized | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-08-08 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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5T4T
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![BU of 5t4t by Molmil](/molmil-images/mine/5t4t) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn - Apo No Halide | Descriptor: | ACETATE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-08-30 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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6ON7
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6WEB
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![BU of 6web by Molmil](/molmil-images/mine/6web) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEC
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![BU of 6wec by Molmil](/molmil-images/mine/6wec) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6PL9
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![BU of 6pl9 by Molmil](/molmil-images/mine/6pl9) | Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2019-06-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
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6PLA
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![BU of 6pla by Molmil](/molmil-images/mine/6pla) | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) with HEWL | Descriptor: | Lysozyme, OSMIUM ION, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2019-06-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
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7OZR
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4U6A
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4UUH
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![BU of 4uuh by Molmil](/molmil-images/mine/4uuh) | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | Deposit date: | 2014-07-28 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors Medchemcommm, 6, 2015
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