6NCZ
 
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1TEC
 | | CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C | | Descriptor: | CALCIUM ION, EGLIN C, SODIUM ION, ... | | Authors: | Gros, P, Dijkstra, B.W, Hol, W.G.J. | | Deposit date: | 1989-05-24 | | Release date: | 1989-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
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3ZJV
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | | Descriptor: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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4DSY
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-phenylpyridine-3-carboxylic acid, ... | | Authors: | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | Deposit date: | 2012-02-20 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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1BOO
 | | PVUII DNA METHYLTRANSFERASE (CYTOSINE-N4-SPECIFIC) | | Descriptor: | PROTEIN (N-4 CYTOSINE-SPECIFIC METHYLTRANSFERASE PVU II), S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Gong, W, O'Gara, M, Blumenthal, R.M, Cheng, X. | | Deposit date: | 1998-07-31 | | Release date: | 1998-08-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of pvu II DNA-(cytosine N4) methyltransferase, an example of domain permutation and protein fold assignment.
Nucleic Acids Res., 25, 1997
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6Q5N
 | | Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24Nle | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CC-Hex*-L24Nle, GLYCEROL | | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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3ZKX
 | | TERNARY BACE2 XAPERONE COMPLEX | | Descriptor: | BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A. | | Deposit date: | 2013-01-25 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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6ZOX
 | | Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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6ZP2
 | | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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6FO6
 | | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial inhibitor SCR0911 | | Descriptor: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | | Deposit date: | 2018-02-06 | | Release date: | 2018-02-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
IUCrJ, 5, 2018
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1TLA
 | | HYDROPHOBIC CORE REPACKING AND AROMATIC-AROMATIC INTERACTION IN THE THERMOSTABLE MUTANT OF T4 LYSOZYME SER 117 (RIGHT ARROW) PHE | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, T4 LYSOZYME | | Authors: | Anderson, D.E, Hurley, J.H, Nicholson, H, Baase, W.A, Matthews, B.W. | | Deposit date: | 1993-03-22 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophobic core repacking and aromatic-aromatic interaction in the thermostable mutant of T4 lysozyme Ser 117-->Phe.
Protein Sci., 2, 1993
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4XSS
 | | Insulin-like growth factor I in complex with site 1 of a hybrid insulin receptor / Type 1 insulin-like growth factor receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, ... | | Authors: | Lawrence, C, Kong, G.K.-W, Menting, J.G, Lawrence, M.C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
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1CQI
 | | Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, MAGNESIUM ION, ... | | Authors: | Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 1999-08-06 | | Release date: | 2000-01-07 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
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2ZMM
 | | Crystal structure of PTP1B-inhibitor complex | | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Xu, W, Wu, J. | | Deposit date: | 2008-04-19 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
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3ZJT
 | | Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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6ZU1
 | | E. coli 70S-RNAP expressome complex in uncoupled state 2 | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-21 | | Release date: | 2020-09-16 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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4XW4
 | | X-ray structure of PKAc with AMPPNP, SP20, calcium ions | | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | | Deposit date: | 2015-01-28 | | Release date: | 2015-05-06 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
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1CU3
 | | T4 LYSOZYME MUTANT V87M | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | | Deposit date: | 1999-08-20 | | Release date: | 1999-11-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
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6PY9
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | | Deposit date: | 2019-07-29 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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1CUP
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | | Deposit date: | 1999-08-20 | | Release date: | 1999-11-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
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2FLR
 | | Novel 5-Azaindole Factor VIIa Inhibitors | | Descriptor: | Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | | Authors: | Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B. | | Deposit date: | 2006-01-06 | | Release date: | 2007-01-23 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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6NZS
 | | Dextranase AoDex KQ11 | | Descriptor: | Dextranase | | Authors: | Ren, W, Yan, W, Gu, L, Feng, Y, Dong, D, Wang, S, Wang, C, Lyu, M. | | Deposit date: | 2019-02-14 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
To Be Published
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4KU7
 | | Structures of PKGI Reveal a cGMP-Selective Activation Mechanism | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | | Authors: | Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C. | | Deposit date: | 2013-05-21 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I.
Structure, 22, 2014
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3ZJU
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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1A2J
 | | OXIDIZED DSBA CRYSTAL FORM II | | Descriptor: | DISULFIDE BOND FORMATION PROTEIN | | Authors: | Martin, J.L, Guddat, L.W. | | Deposit date: | 1998-01-06 | | Release date: | 1998-09-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization.
Structure, 6, 1998
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