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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6FGH
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![BU of 6fgh by Molmil](/molmil-images/mine/6fgh) | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | Descriptor: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6FGL
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![BU of 6fgl by Molmil](/molmil-images/mine/6fgl) | Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | Authors: | Dalle Vedove, A, Unzue, A, Nevado, C, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-11 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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6FGG
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![BU of 6fgg by Molmil](/molmil-images/mine/6fgg) | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | Deposit date: | 2018-01-10 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018
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7LOE
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![BU of 7loe by Molmil](/molmil-images/mine/7loe) | T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | Descriptor: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOA
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![BU of 7loa by Molmil](/molmil-images/mine/7loa) | T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene | Descriptor: | 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOF
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![BU of 7lof by Molmil](/molmil-images/mine/7lof) | T4 lysozyme mutant L99A in complex with 2-butylthiophene | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOC
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![BU of 7loc by Molmil](/molmil-images/mine/7loc) | T4 lysozyme mutant L99A in complex with 1-bromanyl-4-fluoranyl-benzene | Descriptor: | 1-bromanyl-4-fluoranyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOB
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![BU of 7lob by Molmil](/molmil-images/mine/7lob) | T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene | Descriptor: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LX9
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![BU of 7lx9 by Molmil](/molmil-images/mine/7lx9) | T4 lysozyme mutant L99A | Descriptor: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOJ
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![BU of 7loj by Molmil](/molmil-images/mine/7loj) | T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOD
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![BU of 7lod by Molmil](/molmil-images/mine/7lod) | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | Descriptor: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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6G74
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![BU of 6g74 by Molmil](/molmil-images/mine/6g74) | |
6FOC
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![BU of 6foc by Molmil](/molmil-images/mine/6foc) | F1-ATPase from Mycobacterium smegmatis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | Authors: | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | Deposit date: | 2018-02-06 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs. Proc.Natl.Acad.Sci.USA, 116, 2019
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7LWA
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![BU of 7lwa by Molmil](/molmil-images/mine/7lwa) | |
6FUC
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![BU of 6fuc by Molmil](/molmil-images/mine/6fuc) | Structure of aminoglycoside phosphotransferase APH(3'')-Id from Streptomyces rimosus ATCC10970 | Descriptor: | Aminoglycoside phosphotransferase | Authors: | Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Alekseeva, M.G, Mavletova, D.A, Zakharevich, N.V, Rudakova, N.N, Danilenko, V.N, Popov, V.O. | Deposit date: | 2018-02-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Identification, functional and structural characterization of novel aminoglycoside phosphotransferase APH(3′′)-Id from Streptomyces rimosus subsp. rimosus ATCC 10970. Arch.Biochem.Biophys., 671, 2019
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6GD8
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![BU of 6gd8 by Molmil](/molmil-images/mine/6gd8) | Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form | Descriptor: | Cytochrome c iso-1, HEME C, sulfonato-calix[8]arene | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | Deposit date: | 2018-04-23 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G8P
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![BU of 6g8p by Molmil](/molmil-images/mine/6g8p) | 14-3-3sigma in complex with a P129beta3P and L132beta3L mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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7JWJ
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![BU of 7jwj by Molmil](/molmil-images/mine/7jwj) | Crystal Structure of B17-C1 TCR-H2Db | Descriptor: | B17.C1 TCR alpha chain, B17.C1 TCR beta chain, Beta-2-microglobulin, ... | Authors: | Farenc, C, Rossjohn, J, Gras, S, Szeto, C. | Deposit date: | 2020-08-25 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.251 Å) | Cite: | Canonical T cell receptor docking on peptide-MHC is essential for T cell signaling. Science, 372, 2021
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6GD7
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![BU of 6gd7 by Molmil](/molmil-images/mine/6gd7) | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | Deposit date: | 2018-04-23 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G8K
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![BU of 6g8k by Molmil](/molmil-images/mine/6g8k) | 14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-BSE-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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6FSI
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![BU of 6fsi by Molmil](/molmil-images/mine/6fsi) | Crystal structure of semiquinone Flavodoxin 1 from Bacillus cereus (1.32 A resolution) | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, SULFATE ION, ... | Authors: | Gudim, I, Lofstad, M, Hersleth, H.-P. | Deposit date: | 2018-02-19 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | High-resolution crystal structures reveal a mixture of conformers of the Gly61-Asp62 peptide bond in an oxidized flavodoxin from Bacillus cereus. Protein Sci., 27, 2018
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6GBN
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![BU of 6gbn by Molmil](/molmil-images/mine/6gbn) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii in complex with adenosine | Descriptor: | ADENOSINE, Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Czyrko, J, Jaskolski, M, Brzezinski, K. | Deposit date: | 2018-04-15 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii, a case of combination of crystallographic and non-crystallographic symmetry. Croatica Chemica Acta, 91, 2018
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6FU2
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![BU of 6fu2 by Molmil](/molmil-images/mine/6fu2) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ATP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | Deposit date: | 2018-02-26 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase Acs Catalysis, 2018
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6FU7
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![BU of 6fu7 by Molmil](/molmil-images/mine/6fu7) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRATP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | Authors: | Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G. | Deposit date: | 2018-02-26 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase Acs Catalysis, 2018
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