1GL1
 
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4X1G
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-11-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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3C4O
 | | Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) E73M/S130K/S146M complex | | Descriptor: | Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION | | Authors: | Reynolds, K.A, Hanes, M.S, Thomson, J.M, Antczak, A.J, Berger, J.M, Bonomo, R.A, Kirsch, J.F, Handel, T.M. | | Deposit date: | 2008-01-30 | | Release date: | 2008-05-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface.
J.Mol.Biol., 382, 2008
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1GQH
 | | Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE, ... | | Authors: | Steiner, R.A, Dijkstra, B.W. | | Deposit date: | 2001-11-23 | | Release date: | 2002-06-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
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1GQG
 | | Quercetin 2,3-dioxygenase in complex with the inhibitor diethyldithiocarbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Steiner, R.A, Dijkstra, B.W. | | Deposit date: | 2001-11-23 | | Release date: | 2002-06-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
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6Y4O
 | | Calmodulin bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-2, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83549082 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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2AYP
 | | Crystal Structure of CHK1 with an Indol Inhibitor | | Descriptor: | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE, Serine/threonine-protein kinase Chk1 | | Authors: | Lin, N.-H, Xia, P, Kovar, P, Chen, Z, Zhang, H, Rosenberg, S.H, Sham, H.L. | | Deposit date: | 2005-09-07 | | Release date: | 2006-09-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
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4WFB
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with BC-3205 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | | Deposit date: | 2014-09-14 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1H1I
 | | CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE QUERCETN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Steiner, R.A, Dijkstra, B.W. | | Deposit date: | 2002-07-15 | | Release date: | 2002-11-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Anaerobic Enzyme.Substrate Structures Provide Insight Into the Reaction Mechanism of the Copper- Dependent Quercetin 2,3-Dioxygenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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3C4P
 | | Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) E73M complex | | Descriptor: | Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION | | Authors: | Reynolds, K.A, Hanes, M.S, Thomson, J.M, Antczak, A.J, Berger, J.M, Bonomo, R.A, Kirsch, J.F, Handel, T.M. | | Deposit date: | 2008-01-30 | | Release date: | 2008-05-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface.
J.Mol.Biol., 382, 2008
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2XJK
 | | Monomeric Human Cu,Zn Superoxide dismutase | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | | Authors: | Saraboji, K, Leinartaite, L, Nordlund, A, Oliveberg, M, Logan, D.T. | | Deposit date: | 2010-07-07 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Folding Catalysis by Transient Coordination of Zn2+ to the Cu Ligands of the Als-Associated Enzyme Cu/Zn Superoxide Dismutase 1.
J.Am.Chem.Soc., 132, 2010
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1GYL
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1H1M
 | | CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE KAEMPFEROL | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Steiner, R.A, Dijkstra, B.W. | | Deposit date: | 2002-07-19 | | Release date: | 2002-11-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anaerobic Enzyme.Substrate Structures Provide Insight Into the Reaction Mechanism of the Copper- Dependent Quercetin 2,3-Dioxygenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2V5U
 | | I92A FLAVODOXIN FROM ANABAENA | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Martinez-Julvez, M, Herguedas, B, Frago, S, Serrano, A, Molina, R, Hamiaux, C, Schierbeek, B, Medina, M, Hermoso, J.A. | | Deposit date: | 2007-07-10 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin.
Arch.Biochem.Biophys., 467, 2007
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3BRZ
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1HW3
 | | STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-24 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
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3BS0
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5VPK
 | | CRYSTAL STRUCTURE OF MITE ALLERGEN DER F 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Der f 1 variant, SULFATE ION | | Authors: | Chruszcz, M, Chapman, M.D, Vailes, L.D, Pomes, A, Minor, W. | | Deposit date: | 2017-05-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures Of Mite Allergens Der F 1 And Der P 1 Reveal Differences In Surface-Exposed Residues That May Influence Antibody Binding
J.Mol.Biol., 386, 2009
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1HW4
 | | STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-24 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
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4ZC7
 | | Paromomycin bound to a leishmanial ribosomal A-site | | Descriptor: | PAROMOMYCIN, RNA duplex | | Authors: | Shalev, M, Rozenberg, H, Jaffe, C.L, Adir, N, Baasov, T. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.041 Å) | | Cite: | Structural basis for selective targeting of leishmanial ribosomes: aminoglycoside derivatives as promising therapeutics.
Nucleic Acids Res., 43, 2015
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3BRY
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2XQ2
 | | Structure of the K294A mutant of vSGLT | | Descriptor: | DI(HYDROXYETHYL)ETHER, SODIUM/GLUCOSE COTRANSPORTER | | Authors: | Watanabe, A, Choe, S, Chaptal, V, Rosenberg, J.M, Wright, E.M, Grabe, M, Abramson, J. | | Deposit date: | 2010-09-01 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Mechanism of Sodium and Substrate Release from the Binding Pocket of Vsglt
Nature, 468, 2010
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2F1T
 | | Outer membrane protein OmpW | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | van den Berg, B. | | Deposit date: | 2005-11-15 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The outer membrane protein OmpW forms an eight-stranded beta-barrel with a hydrophobic channel.
J.Biol.Chem., 281, 2006
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2CHW
 | | A pharmacological map of the PI3-K family defines a role for p110 alpha in signaling: The structure of complex of phosphoinositide 3- kinase gamma with inhibitor PIK-39 | | Descriptor: | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | Authors: | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | | Deposit date: | 2006-03-16 | | Release date: | 2006-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
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2CL2
 | | Endo-1,3(4)-beta-glucanase from Phanerochaete chrysosporium, solved using native sulfur SAD, exhibiting intact heptasaccharide glycosylation | | Descriptor: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Vasur, J, Kawai, R, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | | Deposit date: | 2006-04-25 | | Release date: | 2006-10-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | X-ray crystallographic native sulfur SAD structure determination of laminarinase Lam16A from Phanerochaete chrysosporium.
Acta Crystallogr. D Biol. Crystallogr., 62, 2006
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