2ZFP
 
 | | Thrombin Inibition | | Descriptor: | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-01-08 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
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3VBD
 | | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | | Descriptor: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Mader, P, Brynda, J, Rezacova, P. | | Deposit date: | 2012-01-02 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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3ZL7
 | | BACE2 FYNOMER COMPLEX | | Descriptor: | BETA-SECRETASE 2, FYNOMER 2B-H11 | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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1GLO
 | | Crystal Structure of Cys25Ser mutant of human cathepsin S | | Descriptor: | CATHEPSIN S | | Authors: | Turkenburg, J.P, Lamers, M.B.A.C, Brzozowski, A.M, Wright, L.M, Hubbard, R.E, Sturt, S.L, Williams, D.H. | | Deposit date: | 2001-08-31 | | Release date: | 2002-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Cys25->Ser Mutant of Human Cathepsin Cathepsin S
Acta Crystallogr.,Sect.D, 58, 2002
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3ZIM
 | | Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha | | Descriptor: | 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM | | Authors: | Nacht, M, Qiao, L, Sheets, M.P, Martin, T.S, Labenski, M, Mazdiyasni, H, Karp, R, Zhu, Z, Chaturvedi, P, Bhavsar, D, Niu, D, Westlin, W, Petter, R.C, Medikonda, A.P, Jestel, A, Blaesse, M, Singh, J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha
J.Med.Chem., 56, 2013
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5DY5
 | | Crystal structure of human Sirt2 in complex with a SirReal probe fragment | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | Deposit date: | 2015-09-24 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1GCM
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1FUR
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4GQN
 | | Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, Riboflavin synthase subunit alpha | | Authors: | Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S. | | Deposit date: | 2012-08-23 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility.
Acta Crystallogr.,Sect.D, 70, 2014
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2RR2
 | | Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | | Descriptor: | Neurogenic locus notch homolog protein 1, alpha-L-fucopyranose | | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | | Deposit date: | 2010-02-26 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
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4BXN
 | | Eg5(WT) complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F. | | Deposit date: | 2013-07-15 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
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1C9X
 | | H119A VARIANT OF RIBONUCLEASE A | | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | | Authors: | Park, C, Schultz, L.W, Raines, R.T. | | Deposit date: | 1999-08-03 | | Release date: | 2001-06-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding.
Biochemistry, 40, 2001
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5C79
 | | PH domain of ASAP1 in complex with diC4-PtdIns(4,5)P2 | | Descriptor: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, Arf-GAP, CHLORIDE ION | | Authors: | Xia, D, Tang, W.K. | | Deposit date: | 2015-06-24 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1.
Structure, 23, 2015
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1GCL
 | | GCN4 LEUCINE ZIPPER CORE MUTANT P-LI | | Descriptor: | GCN4 | | Authors: | Harbury, P.B, Zhang, T, Kim, P.S, Alber, T. | | Deposit date: | 1993-10-20 | | Release date: | 1995-06-03 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A switch between two-, three-, and four-stranded coiled coils in GCN4 leucine zipper mutants.
Science, 262, 1993
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1C9V
 | | H12A VARIANT OF RIBONUCLEASE A | | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | | Authors: | Park, C, Schultz, L.W, Raines, R.T. | | Deposit date: | 1999-08-03 | | Release date: | 2001-06-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Contribution of the active site histidine residues of ribonuclease A to nucleic acid binding.
Biochemistry, 40, 2001
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1JH7
 | | Semi-reduced Inhibitor-bound Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana | | Descriptor: | SULFATE ION, URIDINE-2',3'-VANADATE, cyclic phosphodiesterase | | Authors: | Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A. | | Deposit date: | 2001-06-27 | | Release date: | 2002-02-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the semireduced and inhibitor-bound forms of cyclic nucleotide phosphodiesterase from Arabidopsis thaliana.
J.Biol.Chem., 277, 2002
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1JB4
 | | CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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5VYS
 | | Crystal structure of the WbkC N-formyltransferase (C47S variant) from Brucella melitensis | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | | Deposit date: | 2017-05-26 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
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5C20
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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2VMA
 | | The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | | Descriptor: | CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F, IODIDE ION | | Authors: | Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2009-02-10 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae.
J.Struct.Biol., 166, 2009
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1EWJ
 | | CRYSTAL STRUCTURE OF BLEOMYCIN-BINDING PROTEIN COMPLEXED WITH BLEOMYCIN | | Descriptor: | BLEOMYCIN A2, BLEOMYCIN RESISTANCE DETERMINANT | | Authors: | Maruyama, M, Kumagai, T, Matoba, Y, Hata, Y, Sugiyama, M. | | Deposit date: | 2000-04-26 | | Release date: | 2001-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the transposon Tn5-carried bleomycin resistance determinant uncomplexed and complexed with bleomycin.
J.Biol.Chem., 276, 2001
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1E7M
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5UIJ
 | | X-ray structure of The FdtF N-formyltransferase from Salmonella enteric O60 in complex with TDP | | Descriptor: | 1,2-ETHANEDIOL, Formyltransferase, SODIUM ION, ... | | Authors: | Thoden, J.B, Woodford, C.R, Holden, H.M. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60.
J. Struct. Biol., 200, 2017
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1ES3
 | | C98A mutant of streptomyces K15 DD-transpeptidase | | Descriptor: | DD-TRANSPEPTIDASE, SODIUM ION | | Authors: | Fonze, E, Charlier, P. | | Deposit date: | 2000-04-07 | | Release date: | 2000-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
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1JVA
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