5R96
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5R9O
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5RA0
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6EGC
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7OZD
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![BU of 7ozd by Molmil](/molmil-images/mine/7ozd) | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34. | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-27 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7OZB
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![BU of 7ozb by Molmil](/molmil-images/mine/7ozb) | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38. | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-27 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7OZF
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![BU of 7ozf by Molmil](/molmil-images/mine/7ozf) | FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-28 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7OZY
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![BU of 7ozy by Molmil](/molmil-images/mine/7ozy) | FGFR2 kinase domain (residues 461-763) in complex with 38. | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ... | Authors: | Trinh, C.H, Turner, L.D, Fishwick, C.W.G. | Deposit date: | 2021-06-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor. J.Med.Chem., 65, 2022
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7RWV
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![BU of 7rwv by Molmil](/molmil-images/mine/7rwv) | Crystal structure of a metal-free RIDC1 variant | Descriptor: | HEME C, Soluble cytochrome b562 | Authors: | Kakkis, A, Golub, E. | Deposit date: | 2021-08-20 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox- and metal-directed structural diversification in designed metalloprotein assemblies. Chem.Commun.(Camb.), 58, 2022
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7RWX
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7RWW
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![BU of 7rww by Molmil](/molmil-images/mine/7rww) | Crystal structure of a Zn-bound RIDC1 variant | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kakkis, A, Golub, E. | Deposit date: | 2021-08-20 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Redox- and metal-directed structural diversification in designed metalloprotein assemblies. Chem.Commun.(Camb.), 58, 2022
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7RWU
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7RWY
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4KVT
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![BU of 4kvt by Molmil](/molmil-images/mine/4kvt) | Crystal structure of a 6-helix coiled coil CC-Hex-L24C | Descriptor: | 6-helix coiled coil CC-Hex-L24C peptide | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | Deposit date: | 2013-05-23 | Release date: | 2013-08-21 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly. J.Am.Chem.Soc., 135, 2013
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4KVV
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![BU of 4kvv by Molmil](/molmil-images/mine/4kvv) | Crystal structure of an alkylated Cys mutant of CC-Hex | Descriptor: | 6-HELIX COILED COIL CC-HEX-L24C PEPTIDE with an alkylated Cys mutation | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | Deposit date: | 2013-05-23 | Release date: | 2013-08-21 | Last modified: | 2013-09-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly. J.Am.Chem.Soc., 135, 2013
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6YPI
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![BU of 6ypi by Molmil](/molmil-images/mine/6ypi) | Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ... | Authors: | Basler, S, Mori, T, Hilvert, D. | Deposit date: | 2020-04-16 | Release date: | 2021-04-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
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6FL5
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![BU of 6fl5 by Molmil](/molmil-images/mine/6fl5) | Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ... | Authors: | Giardina, G, Cutruzzola, F, Lucchi, R. | Deposit date: | 2018-01-25 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells. FEBS J., 285, 2018
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5R87
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5R8L
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5R8D
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5R8J
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5R8F
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5R8A
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![BU of 5r8a by Molmil](/molmil-images/mine/5r8a) | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA | Descriptor: | Interleukin-1 beta, SULFATE ION, ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R8O
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5R89
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