4B2A
| Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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4F21
| Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | Descriptor: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | Authors: | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-07 | Release date: | 2012-08-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis. J.Biol.Chem., 288, 2013
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1YQC
| Crystal Structure of Ureidoglycolate Hydrolase (AllA) from Escherichia coli O157:H7 | Descriptor: | GLYOXYLIC ACID, Ureidoglycolate hydrolase | Authors: | Raymond, S, Tocilj, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2005-02-01 | Release date: | 2005-10-18 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.709 Å) | Cite: | Crystal structure of ureidoglycolate hydrolase (AllA) from Escherichia coli O157:H7 Proteins, 61, 2005
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7SEN
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7SGM
| Crystal structure of a Fab variant containing a fluorescent noncanonical amino acid with blocked excited state proton transfer and in complex with its antigen, CD40L | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c8* Fab heavy chain, ... | Authors: | Henderson, J.N, Mills, J.H, Simmons, C.R. | Deposit date: | 2021-10-06 | Release date: | 2022-02-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Blocked Excited State Proton Transfer in a Fluorescent, Photoacidic Non-Canonical Amino Acid-Containing Antibody Fragment. J.Mol.Biol., 434, 2022
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5EBJ
| Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail | Descriptor: | photoswitching chromogenic protein | Authors: | Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M. | Deposit date: | 2015-10-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | Cite: | Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail. J.Mol.Biol., 428, 2016
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4V25
| VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4V26
| VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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1SEN
| Endoplasmic reticulum protein Rp19 O95881 | Descriptor: | CHLORIDE ION, PLATINUM (II) ION, Thioredoxin-like protein p19 | Authors: | Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Lee, D, Dailey, T.A, Mayer, M.R, Rose, J.P, Richardson, D.C, Richardson, J.S, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-02-17 | Release date: | 2004-07-13 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Endoplasmic reticulum protein Rp19 To be Published
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3IAD
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3LEO
| Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, GLYCEROL, ... | Authors: | Niegowski, D, Martinez-Molina, D, Rinaldo-Matthis, A, Nordlund, P, Haeggstrom, J. | Deposit date: | 2010-01-15 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Arginine 104 is a key catalytic residue in leukotriene C4 synthase. J.Biol.Chem., 285, 2010
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3CGL
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4UHV
| The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System | Descriptor: | CHLORIDE ION, SODIUM ION, VGRG1, ... | Authors: | Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A. | Deposit date: | 2015-03-25 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System Acta Crystallogr.,Sect.D, 72, 2016
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3DHT
| The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Neelagandan, K, Sathya Moorthy, P, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N. | Deposit date: | 2008-06-18 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin To be Published
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1SX3
| GroEL14-(ATPgammaS)14 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D. | Deposit date: | 2004-03-30 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states. J.Mol.Biol., 342, 2004
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1SX4
| GroEL-GroES-ADP7 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, groEL protein, ... | Authors: | Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D. | Deposit date: | 2004-03-30 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states. J.Mol.Biol., 342, 2004
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5EB6
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6JT4
| Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden. Chemmedchem, 14, 2019
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5EXU
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1LVY
| PORCINE ELASTASE | Descriptor: | CALCIUM ION, ELASTASE, SULFATE ION | Authors: | Schiltz, M, Prange, T. | Deposit date: | 1996-07-20 | Release date: | 1997-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination. Acta Crystallogr.,Sect.D, 53, 1997
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5EJU
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7T4J
| Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | Authors: | Skene, R.J, Lane, W, Hu, Y. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
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7T4I
| Crystal Structure of wild type EGFR in complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Skene, R.J, Lane, W. | Deposit date: | 2021-12-10 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer. Bioorg.Med.Chem.Lett., 80, 2022
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5J5D
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2G3O
| The 2.1A crystal structure of copGFP | Descriptor: | green fluorescent protein 2 | Authors: | Wilmann, P.G. | Deposit date: | 2006-02-20 | Release date: | 2006-08-15 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1A crystal structure of copGFP, a representative member of the copepod clade within the green fluorescent protein superfamily J.Mol.Biol., 359, 2006
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