4C3W
| Vanadium(IV)-Picolinate Complexed with Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, LYSOZYME C, ... | Authors: | Santos, M.F.A, Correia, I, Oliveira, A.R, Garribba, E, Pessoa, J.C, Romao, M.J, Santos-Silva, T. | Deposit date: | 2013-08-28 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Vanadium Complexes as Prospective Therapeutics: Structural Characterization of a V(Iv) Lysozyme Adduct Eur.J.Inorg.Chem., 21, 2014
|
|
4C6W
| Crystal structure of M. tuberculosis C171Q KasA | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | Deposit date: | 2013-09-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
|
|
2IEN
| Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
|
|
4AYO
| Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, ... | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | Deposit date: | 2012-06-21 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
2IEO
| Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-09-19 | Release date: | 2006-10-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
|
|
4BF1
| Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | Descriptor: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ... | Authors: | Tars, K, Leitans, J, Zalubovskis, R. | Deposit date: | 2013-03-13 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies. Bioorg.Med.Chem., 21, 2013
|
|
4BIN
| Crystal structure of the E. coli N-acetylmuramoyl-L-alanine amidase AmiC | Descriptor: | N-ACETYLMURAMOYL-L-ALANINE AMIDASE AMIC, SODIUM ION, ZINC ION | Authors: | Kerff, F, Rocaboy, M, Herman, R, Sauvage, E, Charlier, P. | Deposit date: | 2013-04-12 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The Crystal Structure of the Cell Division Amidase Amic Reveals the Fold of the Amin Domain, a New Peptidoglycan Binding Domain. Mol.Microbiol., 90, 2013
|
|
2IM0
| |
4DEF
| Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Capodagli, G.C, Pegan, S.D. | Deposit date: | 2012-01-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
|
|
4E27
| Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing | Descriptor: | Capsid Protein, IODIDE ION, SODIUM ION | Authors: | Craig, T.K, Abendroth, J, Lorimer, D, Burgin Jr, A.B, Segall, A, Rohwer, F. | Deposit date: | 2012-03-07 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing To be Published
|
|
2IJA
| Human N-acetyltransferase 1 F125S mutant | Descriptor: | ACETAMIDE, Arylamine N-acetyltransferase 1, SODIUM ION, ... | Authors: | Tempel, W, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Grant, D.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-29 | Release date: | 2006-11-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | The Crystal Structure of Human N-acetyltransferase 1 mutant, F125S To be Published
|
|
2IM2
| |
4DJT
| |
2JJA
| Crystal structure of GNA with synthetic copper base pair | Descriptor: | COBALT HEXAMMINE(III), COPPER (II) ION, GNA, ... | Authors: | Schlegel, M.K, Essen, L.-O, Meggers, E. | Deposit date: | 2008-03-28 | Release date: | 2008-07-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Duplex Structure of a Minimal Nucleic Acid. J.Am.Chem.Soc., 130, 2008
|
|
4D77
| |
4D9T
| Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-25 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
|
|
2JJZ
| Crystal Structure of Human Iba2, orthorhombic crystal form | Descriptor: | ACETATE ION, CHLORIDE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ... | Authors: | Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K. | Deposit date: | 2008-05-15 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Characterization of Human Iba Proteins. FEBS J., 275, 2008
|
|
4DGV
| Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, P2(1) form | Descriptor: | E2 peptide, HCV1 Heavy Chain, HCV1 Light Chain, ... | Authors: | Kong, L, Wilson, I.A, Law, M. | Deposit date: | 2012-01-26 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4DRT
| Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
2IC0
| Urate oxidase under 2.0 MPa pressure of xenon | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase, ... | Authors: | Colloc'h, N, Retailleau, P, Sopkova-de Oliveira Santos, J, Abraini, J.H, Prange, T. | Deposit date: | 2006-09-12 | Release date: | 2007-02-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action Biophys.J., 92, 2007
|
|
2I61
| Depressant anti-insect neurotoxin, LqhIT2 from Leiurus quinquestriatus hebraeus | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CARBON DIOXIDE, ... | Authors: | Frolow, F, Gurevitz, M, Karbat, I, Turkov, M, Gordon, D. | Deposit date: | 2006-08-27 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray Structure and Mutagenesis of the Scorpion Depressant Toxin LqhIT2 Reveals Key Determinants Crucial for Activity and Anti-Insect Selectivity. J.Mol.Biol., 366, 2007
|
|
4DWB
| Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
|
|
4DJA
| Crystal structure of a prokaryotic (6-4) photolyase PhrB from Agrobacterium Tumefaciens with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore at 1.45A resolution | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Scheerer, P, Zhang, F, Oberpichler, I, Lamparter, T, Krauss, N. | Deposit date: | 2012-02-01 | Release date: | 2013-04-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4AYR
| Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, ... | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | Deposit date: | 2012-06-21 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
1AT5
| HEN EGG WHITE LYSOZYME WITH A SUCCINIMIDE RESIDUE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LYSOZYME, ... | Authors: | Noguchi, S, Miyawaki, K, Satow, Y. | Deposit date: | 1997-08-18 | Release date: | 1998-02-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Succinimide and isoaspartate residues in the crystal structures of hen egg-white lysozyme complexed with tri-N-acetylchitotriose. J.Mol.Biol., 278, 1998
|
|