5SM3
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![BU of 5sm3 by Molmil](/molmil-images/mine/5sm3) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z943693514 | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SM6
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![BU of 5sm6 by Molmil](/molmil-images/mine/5sm6) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1899842917 | Descriptor: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SMI
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![BU of 5smi by Molmil](/molmil-images/mine/5smi) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604 | Descriptor: | (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SMK
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![BU of 5smk by Molmil](/molmil-images/mine/5smk) | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NSP14 | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-08 | Release date: | 2022-03-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5SL8
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![BU of 5sl8 by Molmil](/molmil-images/mine/5sl8) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762 | Descriptor: | N,N-dimethylpyridin-4-amine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SLN
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![BU of 5sln by Molmil](/molmil-images/mine/5sln) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z57299529 | Descriptor: | PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SM2
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![BU of 5sm2 by Molmil](/molmil-images/mine/5sm2) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z3006151474 | Descriptor: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SMH
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![BU of 5smh by Molmil](/molmil-images/mine/5smh) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938 | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | Authors: | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | Deposit date: | 2022-03-03 | Release date: | 2022-03-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5SB7
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![BU of 5sb7 by Molmil](/molmil-images/mine/5sb7) | Tubulin-todalam-18-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2021-07-08 | Release date: | 2022-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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5SB6
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![BU of 5sb6 by Molmil](/molmil-images/mine/5sb6) | Tubulin-todalam-10-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2021-07-08 | Release date: | 2022-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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5SB3
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![BU of 5sb3 by Molmil](/molmil-images/mine/5sb3) | Tubulin-todalam-4-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2021-07-08 | Release date: | 2022-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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5SB5
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![BU of 5sb5 by Molmil](/molmil-images/mine/5sb5) | Tubulin-todalam-9-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2021-07-08 | Release date: | 2022-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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5SB4
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![BU of 5sb4 by Molmil](/molmil-images/mine/5sb4) | Tubulin-todalam-8-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2021-07-08 | Release date: | 2022-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action. Angew.Chem.Int.Ed.Engl., 61, 2022
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5ANV
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![BU of 5anv by Molmil](/molmil-images/mine/5anv) | MTH1 in complex with compound 15 | Descriptor: | 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5CYL
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![BU of 5cyl by Molmil](/molmil-images/mine/5cyl) | |
7K7Q
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![BU of 7k7q by Molmil](/molmil-images/mine/7k7q) | |
7K7O
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![BU of 7k7o by Molmil](/molmil-images/mine/7k7o) | |
3ZPQ
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![BU of 3zpq by Molmil](/molmil-images/mine/3zpq) | Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) | Descriptor: | 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | Deposit date: | 2013-03-01 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
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3ZPR
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![BU of 3zpr by Molmil](/molmil-images/mine/3zpr) | Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound | Descriptor: | 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | Deposit date: | 2013-03-01 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
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7KCW
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![BU of 7kcw by Molmil](/molmil-images/mine/7kcw) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A, Strynadka, N.C. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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3X05
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![BU of 3x05 by Molmil](/molmil-images/mine/3x05) | Crystal structure of PIP4KIIBETA T201M complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X06
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![BU of 3x06 by Molmil](/molmil-images/mine/3x06) | Crystal structure of PIP4KIIBETA T201M complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X03
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![BU of 3x03 by Molmil](/molmil-images/mine/3x03) | Crystal structure of PIP4KIIBETA complex with AMPPNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X01
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![BU of 3x01 by Molmil](/molmil-images/mine/3x01) | Crystal structure of PIP4KIIBETA complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X09
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![BU of 3x09 by Molmil](/molmil-images/mine/3x09) | Crystal structure of PIP4KIIBETA F205L complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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