1W30
 
 | | PyrR of Mycobacterium Tuberculosis as a potential drug target | | Descriptor: | PYRR BIFUNCTIONAL PROTEIN | | Authors: | Kantardjieff, K.A, Vasquez, C, Castro, P, Warfel, N.N, Rho, B.-S, Lekin, T, Kim, C.-Y, Segelke, B.W, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-07-11 | | Release date: | 2004-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Pyrr (Rv1379) from Mycobacterium Tuberculosis: A Persistence Gene and Protein Drug Target
Acta Crystallogr.,Sect.D, 61, 2005
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1EYM
 | | FK506 BINDING PROTEIN MUTANT, HOMODIMERIC COMPLEX | | Descriptor: | FK506 BINDING PROTEIN | | Authors: | Rollins, C.T, Rivera, V.M, Woolfson, D.N, Keenan, T, Hatada, M, Adams, S.E, Andrade, L.J, Yaeger, D, van Schravendijk, M.R, Holt, D.A, Gilman, M, Clackson, T. | | Deposit date: | 2000-05-07 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A ligand-reversible dimerization system for controlling protein-protein interactions.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1W2W
 | | Crystal structure of yeast Ypr118w, a methylthioribose-1-phosphate isomerase related to regulatory eIF2B subunits | | Descriptor: | 5-METHYLTHIORIBOSE-1-PHOSPHATE ISOMERASE, SULFATE ION | | Authors: | Bumann, M, Djafarzadeh, S, Oberholzer, A.E, Bigler, P, Altmann, M, Trachsel, H, Baumann, U. | | Deposit date: | 2004-07-09 | | Release date: | 2004-07-16 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Yeast Ypr118W, a Methylthioribose-1-Phosphate Isomerase Related to Regulatory Eif2B Subunits
J.Biol.Chem., 279, 2004
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | Authors: | di Fabio, R, Petrocchi, A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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1MF4
 | | Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal structure of the complex formed between phosholipase A2 from Naja Naja sagittifera and a designed peptide inhibitor at 1.9 A resolution | | Descriptor: | CALCIUM ION, Phospholipase A2, VAL-ALA-PHE-ARG-SER | | Authors: | Singh, R.K, Vikram, P, Paramsivam, M, Jabeen, T, Sharma, S, Makker, J, Dey, S, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2002-08-09 | | Release date: | 2003-09-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of specific peptide inhibitors for group I phospholipase A2: structure of a complex formed between phospholipase A2 from Naja naja sagittifera (group I) and a designed peptide inhibitor Val-Ala-Phe-Arg-Ser (VAFRS) at 1.9 A resolution reveals unique features
Biochemistry, 42, 2003
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7NMM
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5VZ5
 | | Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | | Deposit date: | 2017-05-26 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5901 Å) | | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
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1W6L
 | | 3D structure of CotA incubated with CuCl2 | | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Bento, I, Martins, L.O, Lopes, G.G, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2004-08-19 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dioxygen Reduction by Multi-Copper Oxidases; a Structural Perspective.
Dalton Trans., 7, 2005
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8CEF
 | | Asymmetric Dimerization in a Transcription Factor Superfamily is Promoted by Allosteric Interactions with DNA | | Descriptor: | DNA (26-MER), Nuclear receptor DNA binding domain, ZINC ION | | Authors: | Patel, A.K.M, Shaik, T.B, McEwen, A.G, Moras, D, Klaholz, B.P, Billas, I.M.L. | | Deposit date: | 2023-02-01 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Asymmetric dimerization in a transcription factor superfamily is promoted by allosteric interactions with DNA.
Nucleic Acids Res., 51, 2023
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1W3X
 | | Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine D-a-hydroxyisovaleryl ester complex (Oxygen exposed 5 minutes 20 bar) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE | | Authors: | Daruzzaman, A, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2004-07-20 | | Release date: | 2005-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase.
Chembiochem, 7, 2006
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1W6W
 | | 3D structure of CotA incubated with sodium azide | | Descriptor: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Bento, I, Martins, L.O, Lopes, G.G, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2004-08-24 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dioxygen Reduction by Multi-Copper Oxidases; a Structural Perspective.
Dalton Trans., 7, 2005
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1W8E
 | | 3D structure of CotA incubated with hydrogen peroxide | | Descriptor: | COPPER (II) ION, GLYCEROL, PEROXIDE ION, ... | | Authors: | Bento, I, Martins, L.O, Lopes, G.G, Carrondo, M.A, Lindley, P.F. | | Deposit date: | 2004-09-21 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dioxygen Reduction by Multi-Copper Oxidases; a Structural Perspective.
Dalton Trans., 7, 2005
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1VIN
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1MWE
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3DBA
 | | Crystal structure of the cGMP-bound GAF a domain from the photoreceptor phosphodiesterase 6C | | Descriptor: | Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', GLYCEROL, GUANOSINE-3',5'-MONOPHOSPHATE | | Authors: | Martinez, S.E, Heikaus, C.C, Klevit, R.E, Beavo, J.A. | | Deposit date: | 2008-05-30 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The Structure of the GAF A Domain from Phosphodiesterase 6C Reveals Determinants of cGMP Binding, a Conserved Binding Surface, and a Large cGMP-dependent Conformational Change.
J.Biol.Chem., 283, 2008
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1MEG
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1EMX
 | | SOLUTION STRUCTURE OF HPTX2, A TOXIN FROM HETEROPODA VENATORIA SPIDER VENOM THAT BLOCKS KV4.2 POTASSIUM CHANNEL | | Descriptor: | HETEROPODATOXIN 2 | | Authors: | Bernard, C, Legros, C, Ferrat, G, Bishoff, U, Marquardt, A, Pongs, O, Darbon, H. | | Deposit date: | 2000-03-20 | | Release date: | 2001-01-24 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of hpTX2, a toxin from Heteropoda venatoria spider that blocks Kv4.2 potassium channel.
Protein Sci., 9, 2000
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5VXB
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7NLJ
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1W85
 | | The crystal structure of pyruvate dehydrogenase E1 bound to the peripheral subunit binding domain of E2 | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE COMPONENT OF PYRUVATE, MAGNESIUM ION, ... | | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | | Deposit date: | 2004-09-16 | | Release date: | 2004-11-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A molecular switch and proton wire synchronize the active sites in thiamine enzymes.
Science, 306, 2004
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1W88
 | | The crystal structure of pyruvate dehydrogenase E1(D180N,E183Q) bound to the peripheral subunit binding domain of E2 | | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE COMPONENT OF PYRUVATE, MAGNESIUM ION, PYRUVATE DEHYDROGENASE E1 COMPONENT, ... | | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | | Deposit date: | 2004-09-16 | | Release date: | 2004-11-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Molecular Switch and Proton-Wire Synchronize the Active Sites in Thiamine-Dependent Enzymes
Science, 306, 2004
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1N1O
 | | Crystal Structure of a B-form DNA Duplex Containing (L)-alpha-threofuranosyl (3'-2') Nucleosides: A Four-Carbon Sugar is Easily Accommodated into the Backbone of DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*(TFT)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Wilds, C.J, Wawrzak, Z, Krishnamurthy, R, Eschenmoser, A, Egli, M. | | Deposit date: | 2002-10-18 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of a B-Form DNA Duplex Containing (L)-alpha-Threofuranosyl (3'-->2') Nucleosides: A
Four-Carbon Sugar Is Easily Accommodated into the Backbone of DNA
J.Am.Chem.Soc., 124, 2002
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5W1W
 | | Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex | | Descriptor: | Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ... | | Authors: | Gras, S, Walpole, N, Farenc, C, Rossjohn, J. | | Deposit date: | 2017-06-05 | | Release date: | 2017-10-04 | | Last modified: | 2018-01-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
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1W52
 | | Crystal structure of a proteolyzed form of pancreatic lipase related protein 2 from horse | | Descriptor: | CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, PANCREATIC LIPASE RELATED PROTEIN 2 | | Authors: | Mancheno, J.M, Jayne, S, Kerfelec, B, Chapus, C, Crenon, I, Hermoso, J.A. | | Deposit date: | 2004-08-04 | | Release date: | 2006-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystalization of a Proteolyzed Form of the Horse Pancreatic Lipase-Related Protein 2: Structural Basis for the Specific Detergent Requirement.
Acta Crystallogr.,Sect.D, 60, 2004
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8C3D
 | | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | | Deposit date: | 2022-12-23 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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