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1UNW	Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles Descriptor: GENERAL CONTROL PROTEIN GCN4 Authors: Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. Deposit date: 2003-09-15 Release date: 2004-10-13 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
3MEN	Crystal structure of acetylpolyamine aminohydrolase from Burkholderia pseudomallei, iodide soak Descriptor: Acetylpolyamine aminohydrolase, IODIDE ION, POTASSIUM ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-03-31 Release date: 2010-04-21 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: SAD phasing using iodide ions in a high-throughput structural genomics environment. J Struct Funct Genomics, 12, 2011
1CG3	STRUCTURE OF THE MUTANT (R143L) OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI COMPLEXED WITH HADACIDIN, GDP, 6-PHOSPHORYL-IMP, AND MG2+ Descriptor: 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, HADACIDIN, ... Authors: Choe, J.Y, Poland, B.W, Fromm, H, Honzatko, R. Deposit date: 1999-03-26 Release date: 1999-06-17 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Mechanistic implications from crystalline complexes of wild-type and mutant adenylosuccinate synthetases from Escherichia coli. Biochemistry, 38, 1999
3NPU	Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution Descriptor: deoxyribose phosphate aldolase Authors: Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) Deposit date: 2010-06-29 Release date: 2011-02-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
3NPW	In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution Descriptor: deoxyribose phosphate aldolase Authors: Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) Deposit date: 2010-06-29 Release date: 2011-02-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
3I1C	Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL Authors: Lambert, A.R, Stoddard, B.L. Deposit date: 2009-06-26 Release date: 2009-08-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction. Science, 329, 2010
3O3Q	Crystal structure of "L44F/M67I/L73V/A103G/deletion 104-106/F108Y/V109L/L111I/C117V/R119G/deletion 120-122" mutant form of Human acidic fibroblast growth factor Descriptor: GLYCEROL, Heparin-binding growth factor 1 Authors: Lee, J, Blaber, M. Deposit date: 2010-07-25 Release date: 2011-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: A polypeptide "building block"top-down symmetric deconstruction". J.Mol.Biol., 407, 2011
3Q24	X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with pppGpG and pyrophosphate: product complex Descriptor: DIHYDROGENPHOSPHATE ION, DNA (5'-D(*TP*GP*CP*CP*TP*CP*CP*CP*AP*GP*GP*CP*AP*TP*CP*CP*AP*AP*AP*AP*GP*AP*AP*GP*CP*GP*GP*AP*GP*CP*TP*TP*CP*TP*TP*C)-3'), GUANOSINE-5'-MONOPHOSPHATE, ... Authors: Gleghorn, M.L, Murakami, K.S. Deposit date: 2010-12-19 Release date: 2011-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.81 Å) Cite: X-ray crystal structures elucidate the nucleotidyl transfer reaction of transcript initiation using two nucleotides. Proc.Natl.Acad.Sci.USA, 108, 2011
3Q23	X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with GMPCPP and Manganese: sustrate complex II Descriptor: DIHYDROGENPHOSPHATE ION, DNA (5'-D(*TP*GP*CP*CP*TP*CP*CP*CP*AP*GP*GP*CP*AP*TP*CP*CP*AP*AP*AP*AP*GP*AP*AP*GP*CP*GP*GP*AP*GP*CP*TP*TP*CP*TP*TP*C)-3'), MANGANESE (II) ION, ... Authors: Gleghorn, M.L, Murakami, K.S. Deposit date: 2010-12-19 Release date: 2011-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: X-ray crystal structures elucidate the nucleotidyl transfer reaction of transcript initiation using two nucleotides. Proc.Natl.Acad.Sci.USA, 108, 2011
3PI5	Crystal Structure of Human Beta Secretase in Complex with BFG356 Descriptor: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 Authors: Rondeau, J.M. Deposit date: 2010-11-05 Release date: 2011-03-23 Last modified: 2017-03-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3Q36	Crystal structure of the 4Fe-4S cluster domain of human DNA primase large subunit Descriptor: DNA primase large subunit, FE (III) ION, IRON/SULFUR CLUSTER Authors: Agarkar, V.B, Babayeva, N.D, Tahirov, T.H. Deposit date: 2010-12-21 Release date: 2011-04-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of the C-terminal domain of human DNA primase large subunit: Implications for the mechanism of the primase - polymerase alpha switch. Cell Cycle, 10, 2011
1AJZ	STRUCTURE OF DIHYDROPTEROATE PYROPHOSPHORYLASE Descriptor: DIHYDROPTEROATE SYNTHASE, SULFATE ION Authors: Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. Deposit date: 1997-05-13 Release date: 1998-05-13 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase. Nat.Struct.Biol., 4, 1997
1A0M	1.1 ANGSTROM CRYSTAL STRUCTURE OF A-CONOTOXIN [TYR15]-EPI Descriptor: ALPHA-CONOTOXIN [TYR15]-EPI Authors: Hu, S.-H, Loughnan, M, Miller, R, Weeks, C.M, Blessing, R.H, Alewood, P.F, Lewis, R.J, Martin, J.L. Deposit date: 1997-12-03 Release date: 1999-01-13 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.1 Å) Cite: The 1.1 A resolution crystal structure of [Tyr15]EpI, a novel alpha-conotoxin from Conus episcopatus, solved by direct methods. Biochemistry, 37, 1998
3KM3	Crystal structure of eoxycytidine triphosphate deaminase from anaplasma phagocytophilum at 2.1A resolution Descriptor: Deoxycytidine triphosphate deaminase, IODIDE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-11-09 Release date: 2009-11-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: SAD phasing using iodide ions in a high-throughput structural genomics environment. J.Struct.Funct.Genom., 12, 2011
1AJ0	CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE Descriptor: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ... Authors: Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. Deposit date: 1997-05-14 Release date: 1998-05-20 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase. Nat.Struct.Biol., 4, 1997
1TD1	Crystal Structure of the Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with acetate Descriptor: ACETATE ION, purine-nucleoside phosphorylase Authors: Pereira, H.D, Franco, G.R, Cleasby, A, Garratt, R.C. Deposit date: 2004-05-21 Release date: 2005-05-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis. J.Mol.Biol., 353, 2005
1B6S	STRUCTURE OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE) Authors: Thoden, J.B, Kappock, T.J, Stubbe, J, Holden, H.M. Deposit date: 1999-01-18 Release date: 1999-11-30 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Three-dimensional structure of N5-carboxyaminoimidazole ribonucleotide synthetase: a member of the ATP grasp protein superfamily. Biochemistry, 38, 1999
3NBK	Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with 4'-phosphopantetheine Descriptor: 4'-PHOSPHOPANTETHEINE, NICKEL (II) ION, Phosphopantetheine adenylyltransferase Authors: Wubben, T.J, Mesecar, A.D. Deposit date: 2010-06-03 Release date: 2010-09-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis. J.Mol.Biol., 404, 2010
1UO4	Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene Authors: Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. Deposit date: 2003-09-15 Release date: 2004-10-13 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
3PT9	Crystal structure of mouse DNMT1(731-1602) in the free state Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION Authors: Song, J, Patel, D.J. Deposit date: 2010-12-02 Release date: 2010-12-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation. Science, 331, 2011
3Q2D	Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution Descriptor: 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase Authors: Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) Deposit date: 2010-12-20 Release date: 2011-02-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
3Q22	X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with GTP and Magnesium: substrate complex I Descriptor: DIHYDROGENPHOSPHATE ION, DNA (5'-D(*TP*GP*CP*CP*TP*CP*CP*CP*AP*GP*GP*CP*AP*TP*CP*CP*AP*AP*AP*AP*GP*AP*AP*GP*CP*GP*GP*AP*GP*CP*TP*TP*CP*TP*TP*C)-3'), GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Gleghorn, M.L, Murakami, K.S. Deposit date: 2010-12-19 Release date: 2011-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.11 Å) Cite: X-ray crystal structures elucidate the nucleotidyl transfer reaction of transcript initiation using two nucleotides. Proc.Natl.Acad.Sci.USA, 108, 2011
3NBA	Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP) Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Phosphopantetheine adenylyltransferase Authors: Wubben, T.J, Mesecar, A.D. Deposit date: 2010-06-03 Release date: 2010-09-15 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.68 Å) Cite: Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis. J.Mol.Biol., 404, 2010
1DGM	CRYSTAL STRUCTURE OF ADENOSINE KINASE FROM TOXOPLASMA GONDII Descriptor: ACETIC ACID, ADENOSINE, ADENOSINE KINASE, ... Authors: Cook, W.J, DeLucas, L.J, Chattopadhyay, D. Deposit date: 1999-11-24 Release date: 2000-11-29 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of adenosine kinase from Toxoplasma gondii at 1.8 A resolution. Protein Sci., 9, 2000
1DHN	1.65 ANGSTROM RESOLUTION STRUCTURE OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS Descriptor: 7,8-DIHYDRONEOPTERIN ALDOLASE Authors: Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G. Deposit date: 1998-03-31 Release date: 1999-04-20 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus. Nat.Struct.Biol., 5, 1998

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