1G4T
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![BU of 1g4t by Molmil](/molmil-images/mine/1g4t) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-10-28 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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2B3T
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![BU of 2b3t by Molmil](/molmil-images/mine/2b3t) | Structure of complex between E. coli translation termination factor RF1 and the PrmC methyltransferase | Descriptor: | Peptide chain release factor 1, Protein methyltransferase hemK, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Graille, M, Heurgue-Hamard, V, Champ, S, Mora, L, Scrima, N, Ulryck, N, van Tilbeurgh, H, Buckingham, R.H. | Deposit date: | 2005-09-21 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular basis for bacterial class I release factor methylation by PrmC Mol.Cell, 20, 2005
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3UJJ
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4O0P
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5LL6
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![BU of 5ll6 by Molmil](/molmil-images/mine/5ll6) | Structure of the 40S ABCE1 post-splitting complex in ribosome recycling and translation initiation | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Heuer, A, Gerovac, M, Schmidt, C, Trowitzsch, S, Preis, A, Koetter, P, Berninghausen, O, Becker, T, Beckmann, R, Tampe, R. | Deposit date: | 2016-07-26 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the 40S-ABCE1 post-splitting complex in ribosome recycling and translation initiation. Nat. Struct. Mol. Biol., 24, 2017
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3V19
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![BU of 3v19 by Molmil](/molmil-images/mine/3v19) | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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4PZZ
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![BU of 4pzz by Molmil](/molmil-images/mine/4pzz) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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5TAE
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1G67
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![BU of 1g67 by Molmil](/molmil-images/mine/1g67) | THIAMIN PHOSPHATE SYNTHASE | Descriptor: | 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-11-03 | Release date: | 2001-09-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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5HSQ
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![BU of 5hsq by Molmil](/molmil-images/mine/5hsq) | The surface engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form, chromophore modelled with an endocyclic double bond in pyrrole ring A. | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome protein, CALCIUM ION, ... | Authors: | Nagano, S, Scheerer, P, Zubow, K, Lamparter, T, Krauss, N. | Deposit date: | 2016-01-26 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers. J.Biol.Chem., 291, 2016
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3V1G
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![BU of 3v1g by Molmil](/molmil-images/mine/3v1g) | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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5FC4
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![BU of 5fc4 by Molmil](/molmil-images/mine/5fc4) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-14 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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2CEK
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![BU of 2cek by Molmil](/molmil-images/mine/2cek) | Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Colletier, J.P, Nachon, F, Gabellieri, E, Fattorusso, C, Campiani, G, Weik, M. | Deposit date: | 2006-02-08 | Release date: | 2006-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor. J. Am. Chem. Soc., 128, 2006
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5FDR
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![BU of 5fdr by Molmil](/molmil-images/mine/5fdr) | Mcl-1 complexed with small molecule inhibitor | Descriptor: | 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods. J.Med.Chem., 59, 2016
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5FJU
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4NTD
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![BU of 4ntd by Molmil](/molmil-images/mine/4ntd) | Crystal structure of HlmI | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, ... | Authors: | Scharf, D.H, Groll, M, Habel, A, Heinekamp, T, Hertweck, C, Brakhage, A.A, Huber, E.M. | Deposit date: | 2013-12-02 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products Angew.Chem.Int.Ed.Engl., 53, 2014
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4KDW
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![BU of 4kdw by Molmil](/molmil-images/mine/4kdw) | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | Descriptor: | Antifreeze protein, CALCIUM ION, GLYCEROL | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | Deposit date: | 2013-04-25 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin. Febs J., 280, 2013
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3U6R
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![BU of 3u6r by Molmil](/molmil-images/mine/3u6r) | Three dimensional structure of broadly neutralizing anti - Hepatitis C virus (HCV) glycoprotein E2 single chain FV fragment 1:7 | Descriptor: | Antibody 1:7 (Heavy chain), Antibody 1:7 (Light chain), SULFATE ION | Authors: | Gilmartin, A.A, Lamp, B, Ruemenapf, T, Persson, A.A, Rey, F.A, Krey, T. | Deposit date: | 2011-10-12 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | High-level secretion of recombinant monomeric murine and human single-chain Fv antibodies from Drosophila S2 cells. Protein Eng.Des.Sel., 25, 2012
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368D
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![BU of 368d by Molmil](/molmil-images/mine/368d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L, Malinina, L. | Deposit date: | 1997-12-19 | Release date: | 1998-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
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4PNG
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![BU of 4png by Molmil](/molmil-images/mine/4png) | Glutathione S-transferase from Drosophila melanogaster - isozyme E7 | Descriptor: | L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, LD04004p | Authors: | Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2014-05-23 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster. Acta Crystallogr.,Sect.D, 71, 2015
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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3ACD
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![BU of 3acd by Molmil](/molmil-images/mine/3acd) | Crystal structure of hypoxanthine-guanine phosphoribosyltransferase with IMP from Thermus thermophilus HB8 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Hypoxanthine-guanine phosphoribosyltransferase, INOSINIC ACID | Authors: | Kanagawa, M, Baba, S, Hirotsu, K, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-12-30 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structures of hypoxanthine-guanine phosphoribosyltransferase (TTHA0220) from Thermus thermophilus HB8. Acta Crystallogr.,Sect.F, 66, 2010
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5IF4
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![BU of 5if4 by Molmil](/molmil-images/mine/5if4) | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | Descriptor: | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2016-02-25 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors. FEBS Lett., 591, 2017
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5UUI
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![BU of 5uui by Molmil](/molmil-images/mine/5uui) | Crystal Structure of Spin-Labeled T77C TNFa | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor | Authors: | Horanyi, P.S, Dranow, D.M, Ceska, T. | Deposit date: | 2017-02-16 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance. Biophys. J., 113, 2017
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1JJX
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![BU of 1jjx by Molmil](/molmil-images/mine/1jjx) | Solution Structure of Recombinant Human Brain-type Fatty acid Binding Protein | Descriptor: | BRAIN-TYPE FATTY ACID BINDING PROTEIN | Authors: | Rademacher, M, Zimmerman, A.W, Rueterjans, H, Veerkamp, J.H, Luecke, C. | Deposit date: | 2001-07-10 | Release date: | 2002-10-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of fatty acid-binding protein from human brain. Mol.Cell.Biochem., 239, 2002
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