1ZMK
 
 | | Crystal structure of human alpha-defensin-2 (variant Gly16-> D-ALA), P 42 21 2 space group | | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 2 | | Authors: | Lubkowski, J, Prahl, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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1Z1V
 | | NMR structure of the Saccharomyces cerevisiae Ste50 SAM domain | | Descriptor: | STE50 protein | | Authors: | Kwan, J.J, Warner, N, Maini, J, Pawson, T, Donaldson, L.W. | | Deposit date: | 2005-03-06 | | Release date: | 2006-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Saccharomyces cerevisiae Ste50 binds the MAPKKK Ste11 through a head-to-tail SAM domain interaction.
J.Mol.Biol., 356, 2006
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1Z3Z
 | | The crystal structure of a DGD mutant: Q52A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Fogle, E.J, Liu, W, Toney, M.D. | | Deposit date: | 2005-03-14 | | Release date: | 2006-01-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase.
Biochemistry, 44, 2005
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2BAK
 | | p38alpha MAP kinase bound to MPAQ | | Descriptor: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | | Authors: | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2BAJ
 | | p38alpha bound to pyrazolourea | | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14 | | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2MIN
 | | NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. | | Deposit date: | 1996-12-20 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Redox-dependent structural changes in the nitrogenase P-cluster.
Biochemistry, 36, 1997
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1IM3
 | | Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax | | Descriptor: | HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, Human T-cell lymphotropic virus type 1 Tax peptide, ... | | Authors: | Gewurz, B.E, Gaudet, R, Tortorella, D, Wang, E.W, Ploegh, H.L, Wiley, D.C. | | Deposit date: | 2001-05-09 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antigen presentation subverted: Structure of the human cytomegalovirus protein US2 bound to the class I molecule HLA-A2.
Proc.Natl.Acad.Sci.USA, 98, 2001
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7EL7
 | | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | | Deposit date: | 2021-04-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5WF6
 | | Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera | | Authors: | White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C. | | Deposit date: | 2017-07-11 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
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1J73
 | | Crystal structure of an unstable insulin analog with native activity. | | Descriptor: | ZINC ION, insulin a, insulin b | | Authors: | Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A. | | Deposit date: | 2001-05-15 | | Release date: | 2001-05-30 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
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5WUC
 | | Structural basis for conductance through TRIC cation channels | | Descriptor: | SODIUM ION, Uncharacterized protein | | Authors: | Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2016-12-17 | | Release date: | 2017-07-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
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6ISD
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione | | Descriptor: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, W.C, Yang, G.F. | | Deposit date: | 2018-11-16 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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5ZCC
 | | Crystal structure of Alpha-glucosidase in complex with maltose | | Descriptor: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Kato, K, Saburi, W, Yao, M. | | Deposit date: | 2018-02-16 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018
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2VIG
 | | Crystal structure of human short-chain acyl CoA dehydrogenase | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pike, A.C.W, Pantic, N, Parizotto, E, Gileadi, O, Ugochukwu, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Short-Chain Acyl Coa Dehydrogenase
To be Published
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4DLM
 | | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 | | Descriptor: | Amidohydrolase 2, ZINC ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121
to be published
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1P37
 | | T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10 | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | | Deposit date: | 2003-04-16 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
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1P3N
 | | CORE REDESIGN BACK-REVERTANT I103V/CORE10 | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | | Deposit date: | 2003-04-17 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
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2VMF
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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5X12
 | | Crystal structure of Bacillus subtilis PadR | | Descriptor: | Transcriptional regulator | | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | | Deposit date: | 2017-01-24 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Nucleic Acids Res., 45, 2017
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1EUC
 | | CRYSTAL STRUCTURE OF DEPHOSPHORYLATED PIG HEART, GTP-SPECIFIC SUCCINYL-COA SYNTHETASE | | Descriptor: | PHOSPHATE ION, SUCCINYL-COA SYNTHETASE, ALPHA CHAIN, ... | | Authors: | Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 2000-04-14 | | Release date: | 2000-07-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phosphorylated and dephosphorylated structures of pig heart, GTP-specific succinyl-CoA synthetase.
J.Mol.Biol., 299, 2000
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5ZHI
 | | Apo crystal structure of TrmD from Mycobacterium tuberculosis | | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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4PML
 | | Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. | | Descriptor: | 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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5WEC
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4DQR
 | | Ternary complex of Bacillus DNA Polymerase I Large Fragment E658A, DNA duplex, and rCTP (paired with dG of template) in presence of Mn2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-02-16 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
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4PNL
 | | Crystal structure of TNKS-2 in complex with DR2313. | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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