2OEY
 
 | | Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA | | Descriptor: | (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE, DNA (25-MER) | | Authors: | Zhang, N, Lin, Y, Xiao, Z, Jones, G.B, Goldberg, I.H. | | Deposit date: | 2007-01-01 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA.
Biochemistry, 46, 2007
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2O1I
 | | RH(BPY)2CHRYSI complexed to mismatched DNA | | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3', bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | | Authors: | Pierre, V.C, Kaiser, J.T, Barton, J.K. | | Deposit date: | 2006-11-28 | | Release date: | 2007-01-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Insights into finding a mismatch through the structure of a mispaired DNA bound by a rhodium intercalator.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2O4M
 | | Structure of Phosphotriesterase mutant I106G/F132G/H257Y | | Descriptor: | ACETIC ACID, CACODYLATE ION, GLYCEROL, ... | | Authors: | Kim, J, Ramagopal, U.A, Tsai, P, Raushel, F.M, Almo, S.C. | | Deposit date: | 2006-12-04 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure of Phosphotriesterase mutant I106G/F132G/H257Y
To be Published
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OCW
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2NZT
 | | Crystal structure of human hexokinase II | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ... | | Authors: | Rabeh, W.M, Zhu, H, Nedyalkova, L, Tempel, W, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-25 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The catalytic inactivation of the N-half of human hexokinase 2 and structural and biochemical characterization of its mitochondrial conformation.
Biosci.Rep., 38, 2018
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2NTI
 | | Crystal structure of PCNA123 heterotrimer. | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, BROMIDE ION, DNA polymerase sliding clamp A, ... | | Authors: | Hlinkova, V, Ling, H. | | Deposit date: | 2006-11-07 | | Release date: | 2007-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening.
Acta Crystallogr.,Sect.D, 64, 2008
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2NT0
 | | Acid-beta-glucosidase low pH, glycerol bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ... | | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
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2MJT
 | | Anoplin R5F T8W in DPC micelles | | Descriptor: | Anoplin, UNKNOWN ATOM OR ION, dodecyl 2-(trimethylammonio)ethyl phosphate | | Authors: | Uggerhoej, L, Poulsen, T.J, Wimmer, R. | | Deposit date: | 2014-01-16 | | Release date: | 2014-12-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Rational Design of Alpha-Helical Antimicrobial Peptides: Do's and Don'ts.
Chembiochem, 16, 2015
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2OC8
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OBE
 | | Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIHYDROGENPHOSPHATE ION, Hexon protein | | Authors: | Xue, F, Rux, J.J, Burnett, R.M. | | Deposit date: | 2006-12-18 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based identification of a major neutralizing site in an adenovirus hexon
J.Virol., 81, 2007
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2OIF
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2NV1
 | | Structure of the synthase subunit Pdx1 (YaaD) of PLP synthase from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Strohmeier, M, Tews, I, Sinning, I. | | Deposit date: | 2006-11-10 | | Release date: | 2006-12-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure of a bacterial pyridoxal 5'-phosphate synthase complex
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2OOG
 | | Crystal structure of glycerophosphoryl diester phosphodiesterase from Staphylococcus aureus | | Descriptor: | GLYCEROL, Glycerophosphoryl diester phosphodiesterase, SULFATE ION, ... | | Authors: | Patskovsky, Y, Fedorov, E, Toro, R, Sauder, J.M, Smith, D, Freeman, J, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Glycerophosphoryl Diester Phosphodiesterase from Staphylococcus Aureus
To be Published
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2MSD
 | | NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M. | | Deposit date: | 2014-07-29 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2OM0
 | | Structure of human insulin in presence of urea at pH 6.5 | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Norrman, M, Schluckebier, G. | | Deposit date: | 2007-01-20 | | Release date: | 2007-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
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2OLY
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2OZF
 | | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1) | | Descriptor: | Ezrin-radixin-moesin-binding phosphoprotein 50 | | Authors: | Phillips, C, Papagrigoriou, E, Gileadi, C, Fedorov, O, Elkins, J, Berridge, G, Turnbull, A.P, Gileadi, O, Schoch, G, Smee, C, Bray, J, Savitsky, P, Uppenberg, J, von Delft, F, Gorrec, F, Umeano, C, Salah, E, Colebrook, S, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-26 | | Release date: | 2007-03-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1)
To be Published
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2OQM
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2OZR
 | | MMP13 Catalytic Domain Complexed with 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid | | Descriptor: | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | Authors: | Johnson, A.R, Pavlovsky, A.G, Ortwine, D.F, Prior, F, Man, C.-F, Bornemeier, D.A, Banotai, C.A, Mueller, W.T, McConnell, P, Yan, C.H, Baragi, V, Lesch, C, Roark, W.H, Lie, J.J, Fasquelle, V, Wilson, M, Robertson, D, Datta, K, Guzman, R, Han, H.-K, Dyer, R.D. | | Deposit date: | 2007-02-27 | | Release date: | 2007-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
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2P7M
 | | Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 6.5 | | Descriptor: | Glyoxalase family protein | | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | | Deposit date: | 2007-03-20 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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2P4M
 | | High pH structure of Rtms5 H146S variant | | Descriptor: | GFP-like non-fluorescent chromoprotein, IODIDE ION | | Authors: | Battad, J.M, Wilmann, P.G, Olsen, S, Byres, E, Smith, S.C, Dove, S.G, Turcic, K.N, Devenish, R.J, Rossjohn, J, Prescott, M. | | Deposit date: | 2007-03-12 | | Release date: | 2007-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structural basis for the pH-dependent increase in fluorescence efficiency of chromoproteins
J.Mol.Biol., 368, 2007
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2P7L
 | | Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 5.75 | | Descriptor: | GLYCEROL, Glyoxalase family protein | | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | | Deposit date: | 2007-03-20 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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2PAN
 | | Crystal structure of E. coli glyoxylate carboligase | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B. | | Deposit date: | 2007-03-27 | | Release date: | 2008-01-01 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
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2OX4
 | | Crystal structure of putative dehydratase from Zymomonas mobilis ZM4 | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Freeman, J.C, Bain, K, Gheyi, T, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4
To be Published
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