5JCG
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5KW9
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3KJF
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![BU of 3kjf by Molmil](/molmil-images/mine/3kjf) | Caspase 3 Bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJN
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![BU of 3kjn by Molmil](/molmil-images/mine/3kjn) | Caspase 8 bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJQ
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![BU of 3kjq by Molmil](/molmil-images/mine/3kjq) | Caspase 8 with covalent inhibitor | Descriptor: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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6D3Y
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4O7K
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![BU of 4o7k by Molmil](/molmil-images/mine/4o7k) | Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, PHOSPHATE ION, ... | Authors: | Maindola, P, Goyal, P, Arulandu, A. | Deposit date: | 2013-12-25 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids Nat Commun, 5, 2014
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6D3X
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3PMQ
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4IQK
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![BU of 4iqk by Molmil](/molmil-images/mine/4iqk) | Crystal structure of cpd 16 bound to Keap1 Kelch domain | Descriptor: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | Authors: | Silvian, L, Marcotte, D. | Deposit date: | 2013-01-11 | Release date: | 2013-05-15 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. Bioorg.Med.Chem., 21, 2013
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6D3Z
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![BU of 6d3z by Molmil](/molmil-images/mine/6d3z) | Protease SFTI complex | Descriptor: | Plasminogen, Trypsin inhibitor 1 | Authors: | Law, R.H.P, Wu, G. | Deposit date: | 2018-04-17 | Release date: | 2019-01-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
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6I2I
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![BU of 6i2i by Molmil](/molmil-images/mine/6i2i) | Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Atherton, J.M, Moores, C.A. | Deposit date: | 2018-11-01 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mitotic phosphorylation by NEK6 and NEK7 reduces the microtubule affinity of EML4 to promote chromosome congression. Sci.Signal., 12, 2019
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6D40
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6RLO
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![BU of 6rlo by Molmil](/molmil-images/mine/6rlo) | Crystal structure of AT1412dm Fab fragment in complex with CD9 large extracellular loop | Descriptor: | AT1412dm Fab Fragment (Heavy Chain), AT1412dm Fab Fragment (Light Chain), CD9 antigen, ... | Authors: | Neviani, V, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | Deposit date: | 2019-05-02 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of a homo-dimerization site in tetraspanin CD9 targeted by a melanoma patient-derived antibody To Be Published
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6RLM
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![BU of 6rlm by Molmil](/molmil-images/mine/6rlm) | Crystal structure of AT1412dm Fab fragment | Descriptor: | AT1412dm Fab (Heavy Chain), AT1412dm Fab (Light Chain), CHLORIDE ION | Authors: | Neviani, V, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | Deposit date: | 2019-05-02 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of a homo-dimerization site in tetraspanin CD9 targeted by a melanoma patient-derived antibody To Be Published
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4OVB
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![BU of 4ovb by Molmil](/molmil-images/mine/4ovb) | Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor, Gold (I) Cyanide derivative | Descriptor: | GLYCEROL, GOLD (I) CYANIDE ION, PHOSPHATE ION, ... | Authors: | Maindola, P, Goyal, P, Arulandu, A. | Deposit date: | 2014-02-21 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids Nat Commun, 5, 2014
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4IN4
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![BU of 4in4 by Molmil](/molmil-images/mine/4in4) | Crystal structure of cpd 15 bound to Keap1 Kelch domain | Descriptor: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | Authors: | Silvian, L, Marcotte, D. | Deposit date: | 2013-01-03 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. Bioorg.Med.Chem., 21, 2013
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6VDA
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6VD8
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6VD9
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7B9B
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![BU of 7b9b by Molmil](/molmil-images/mine/7b9b) | Crystal structure of human 5' exonuclease Appollo APO form | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-12-14 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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7UZN
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![BU of 7uzn by Molmil](/molmil-images/mine/7uzn) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2022-05-09 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.685 Å) | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties. Acs Med.Chem.Lett., 13, 2022
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6B4C
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![BU of 6b4c by Molmil](/molmil-images/mine/6b4c) | Structure of Viperin from Trichoderma virens | Descriptor: | CITRATE ANION, SULFATE ION, Viperin | Authors: | Huang, R.H, Selvadurai, K. | Deposit date: | 2017-09-26 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.795 Å) | Cite: | Reconstitution and substrate specificity for isopentenyl pyrophosphate of the antiviral radical SAM enzyme viperin. J.Biol.Chem., 293, 2018
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6DKW
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6DKB
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![BU of 6dkb by Molmil](/molmil-images/mine/6dkb) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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