1F1D
 
 | | Crystal structure of yeast H46C cuznsod mutant | | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | | Deposit date: | 2000-05-18 | | Release date: | 2002-12-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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1F1A
 | | Crystal structure of yeast H48Q cuznsod fals mutant analog | | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | | Deposit date: | 2000-05-18 | | Release date: | 2002-12-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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3EHB
 | | A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate | | Descriptor: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ... | | Authors: | Koepke, J, Mueller, H, Peng, G. | | Deposit date: | 2008-09-12 | | Release date: | 2008-09-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
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3S85
 | | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | | Deposit date: | 2011-05-27 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
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1D81
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206D
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2JRA
 | | A novel domain-swapped solution NMR structure of protein RPA2121 from Rhodopseudomonas palustris. Northeast Structural Genomics Target RpT6 | | Descriptor: | Protein RPA2121 | | Authors: | Wu, B, Yee, A, Lemak, A, Cort, J, Bansal, S, Semest, A, Guido, V, Kennedy, M.A, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-21 | | Release date: | 2007-07-03 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | A novel domain-swapped solution NMR structure of protein RPA2121 from Rhodopseudomonas palustris.
To be Published
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1N49
 | | Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy | | Descriptor: | Protease, RITONAVIR | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2002-10-30 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant:
Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
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3T3P
 | | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2011-07-25 | | Release date: | 2012-03-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
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1VZK
 | | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2004-05-20 | | Release date: | 2004-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc., 142, 2004
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2IH8
 | | A low-dose crystal structure of a recombinant Melanocarpus albomyces laccase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakulinen, N, Rouvinen, J. | | Deposit date: | 2006-09-26 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A crystallographic and spectroscopic study on the effect of X-ray radiation on the crystal structure of Melanocarpus albomyces laccase.
Biochem.Biophys.Res.Commun., 350, 2006
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1CQD
 | | THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PROTEASE II), ... | | Authors: | Choi, K.H, Laursen, R.A, Allen, K.N. | | Deposit date: | 1999-06-15 | | Release date: | 1999-09-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale.
Biochemistry, 38, 1999
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2XWT
 | | CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ... | | Authors: | Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B. | | Deposit date: | 2010-11-05 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody.
J.Mol.Endocrinol., 46, 2011
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3UXW
 | | Crystal Structures of an A-T-hook/DNA complex | | Descriptor: | A-T hook peptide, dodecamer DNA | | Authors: | Fonfria-Subiros, E, Acosta-Reyes, F.J, Saperas, N, Pous, J, Subirana, J.A, Campos, J.L. | | Deposit date: | 2011-12-05 | | Release date: | 2012-05-23 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of a complex of DNA with one AT-hook of HMGA1.
Plos One, 7, 2012
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2C6D
 | | Aurora A kinase activated mutant (T287D) in complex with ADPNP | | Descriptor: | GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-01-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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1PDX
 | | PUTIDAREDOXIN | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | | Deposit date: | 1999-02-15 | | Release date: | 1999-05-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A refined model for the solution structure of oxidized putidaredoxin.
Biochemistry, 38, 1999
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1ONG
 | | SHV-1 beta-lactamase with a penem inhibitor | | Descriptor: | 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Nukaga, M, Mayama, K, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2003-02-27 | | Release date: | 2003-12-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
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2BEY
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1Y75
 | | A new form of catalytically inactive phospholipase A2 with an unusual disulphide bridge Cys 32- Cys 49 reveals recognition for N-acetylglucosmine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, phospholipase A2 isoform 5, ... | | Authors: | Jabeen, T, Singh, N, Jasti, J, Singh, R.K, Sharma, S, Perbandt, M, Betzel, C, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2004-12-08 | | Release date: | 2005-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a heterodimer of phospholipase A2 from Naja naja sagittifera at 2.3 A resolution reveals the presence of a new PLA2-like protein with a novel cys 32-Cys 49 disulphide bridge with a bound sugar at the substrate-binding site
Proteins, 62, 2006
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1MBL
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221D
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222D
 | | INFLUENCE OF COUNTER-IONS ON THE CRYSTAL STRUCTURES OF DNA DECAMERS: BINDING OF [CO(NH3)6]3+ AND BA2+ TO A-DNA | | Descriptor: | COBALT HEXAMMINE(III), DNA/RNA (5'-R(*GP*CP*)-D(*GP*TP*AP*TP*AP*CP*GP*C)-3') | | Authors: | Gao, Y.-G, Robinson, H, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1995-06-26 | | Release date: | 1996-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Influence of counter-ions on the crystal structures of DNA decamers: binding of [Co(NH3)6]3+ and Ba2+ to A-DNA.
Biophys.J., 69, 1995
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3SJ2
 | | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome | | Descriptor: | ACETATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3') | | Authors: | Kumar, A, Pengfei, F, Park, H, Nettles, K, Guo, M, Disney, M.D. | | Deposit date: | 2011-06-20 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome.
Chembiochem, 12, 2011
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2GVO
 | | Solution structure of a purine rich hexaloop hairpin belonging to PGY/MDR1 mRNA and targeted by antisense oligonucleotides | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE | | Authors: | Joli, F, Bouchemal, N, Laigle, A, Hartmann, B, Hantz, E. | | Deposit date: | 2006-05-03 | | Release date: | 2007-05-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a purine rich hexaloop hairpin belonging to PGY/MDR1 mRNA and targeted by antisense oligonucleotides.
Nucleic Acids Res., 34, 2006
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2C6E
 | | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | | Descriptor: | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-01-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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