1SG3
 
 | | Structure of allantoicase | | Descriptor: | Allantoicase | | Authors: | Leulliot, N, Quevillon-Cheruel, S, Sorel, I, Graille, M, Meyer, P, Liger, D, Blondeau, K, Janin, J, van Tilbeurgh, H. | | Deposit date: | 2004-02-23 | | Release date: | 2004-03-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Yeast Allantoicase Reveals a Repeated Jelly Roll Motif
J.Biol.Chem., 279, 2004
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4KAC
 | | X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150. | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ... | | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR150
To be Published
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1SL3
 | | crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | | Descriptor: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin | | Authors: | Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L. | | Deposit date: | 2004-03-05 | | Release date: | 2004-08-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors
J.Med.Chem., 47, 2004
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3MA2
 | | Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1) | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ... | | Authors: | Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I. | | Deposit date: | 2010-03-23 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function.
Biochemistry, 49, 2010
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1SP4
 | | Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft | | Descriptor: | Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate | | Authors: | Stern, I, Schaschke, N, Moroder, L, Turk, D. | | Deposit date: | 2004-03-16 | | Release date: | 2004-05-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft.
Biochem.J., 381, 2004
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1SR6
 | | Structure of nucleotide-free scallop myosin S1 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | | Authors: | Risal, D, Gourinath, S, Himmel, D.M, Szent-Gyorgyi, A.G, Cohen, C. | | Deposit date: | 2004-03-22 | | Release date: | 2004-06-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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6K04
 | | Crystal structure of BRD2(BD2)with ligand BY27 bound | | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | Deposit date: | 2019-05-05 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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3MRE
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide | | Descriptor: | 9-meric peptide from mRNA export factor EB2, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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3MRL
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide C6V variant | | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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1S9P
 | | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol | | Descriptor: | DIETHYLSTILBESTROL, Estrogen-related receptor gamma | | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | | Deposit date: | 2004-02-05 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
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1SCB
 | | ENZYME CRYSTAL STRUCTURE IN A NEAT ORGANIC SOLVENT | | Descriptor: | ACETONITRILE, CALCIUM ION, SUBTILISIN CARLSBERG | | Authors: | Fitzpatrick, P.A, Steinmetz, A.C.U, Ringe, D, Klibanov, A.M. | | Deposit date: | 1993-07-13 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzyme crystal structure in a neat organic solvent.
Proc.Natl.Acad.Sci.USA, 90, 1993
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1S5M
 | | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | | Deposit date: | 2004-01-21 | | Release date: | 2004-02-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
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1SFH
 | | Reduced state of amicyanin mutant P94F | | Descriptor: | Amicyanin, COPPER (I) ION, SODIUM ION | | Authors: | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2004-02-19 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper.
Biochemistry, 43, 2004
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6KGZ
 | | bacterial cystathionine gamma-lyase MccB of Staphylococcus aureus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cystathionine gamma-lyase | | Authors: | Ha, N.-C, Lee, D. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Bacterial Cystathionine Gamma-Lyase in The Cysteine Biosynthesis Pathway of Staphylococcus aureus
Crystals, 9, 2019
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1SFT
 | | ALANINE RACEMASE | | Descriptor: | ACETATE ION, ALANINE RACEMASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Shaw, J.P, Petsko, G.A, Ringe, D. | | Deposit date: | 1996-09-20 | | Release date: | 1997-02-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of the structure of alanine racemase from Bacillus stearothermophilus at 1.9-A resolution.
Biochemistry, 36, 1997
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6QG9
 | | Crystal structure of Ideonella sakaiensis MHETase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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1S79
 | | Solution structure of the central RRM of human La protein | | Descriptor: | Lupus La protein | | Authors: | Alfano, C, Sanfelice, D, Babon, J, Kelly, G, Jacks, A, Curry, S, Conte, M.R. | | Deposit date: | 2004-01-29 | | Release date: | 2004-04-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of cooperative RNA binding by the La motif and central RRM domain of human La protein.
Nat.Struct.Mol.Biol., 11, 2004
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1S9K
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3M9Y
 | | Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution | | Descriptor: | CITRIC ACID, SODIUM ION, Triosephosphate isomerase | | Authors: | Mukherjee, S, Dutta, D, Saha, B, Das, A.K. | | Deposit date: | 2010-03-23 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
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1S9Q
 | | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | | Descriptor: | 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma | | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | | Deposit date: | 2004-02-05 | | Release date: | 2004-06-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
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1S9S
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6JX6
 | | Tetrameric form of Smac | | Descriptor: | Diablo homolog, mitochondrial | | Authors: | Sivaraman, J, Singh, S, Ng, J, Nayak, D. | | Deposit date: | 2019-04-22 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
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1S9Z
 | | SYNTHETIC 17 AMINO ACID LONG PEPTIDE THAT FORMS A NATIVE-LIKE COILED-COIL AT AMBIENT TEMPERATURE AND AGGREGATES INTO AMYLOID-LIKE FIBRILS AT HIGHER TEMPERATURES. | | Descriptor: | SODIUM ION, SYNTHETIC COILED-COIL PEPTIDE, ZINC ION | | Authors: | Kammerer, R.A, Kostrewa, D, Zurdo, J, Detken, A, Garcia-Echeverria, C, Green, J.D, Muller, S.A, Meier, B.H, Winkler, F.K, Dobson, C.M, Steinmetz, M.O. | | Deposit date: | 2004-02-06 | | Release date: | 2004-04-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Exploring amyloid formation by a de novo design
Proc.Natl.Acad.Sci.USA, 101, 2004
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3MFB
 | | Crystal Structure of the S-type Pyocin domain of ECA1669 protein from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR82C | | Descriptor: | Uncharacterized protein | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-04-01 | | Release date: | 2010-04-14 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Northeast Structural Genomics Consortium Target EwR82C
To be Published
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6K1I
 | | Human nucleosome core particle with gammaH2A.X variant | | Descriptor: | CHLORIDE ION, DNA (147-MER), Histone H2AX, ... | | Authors: | Sharma, D, De Falco, L, Davey, C.A. | | Deposit date: | 2019-05-10 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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