5OIV
 
 | | Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D43A variant in complex with serine and glycerol | | Descriptor: | GLYCEROL, GLYCINE, Hydrolase, ... | | Authors: | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | | Deposit date: | 2017-07-19 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
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1SXK
 | | Crystal Structure of a complex formed between phospholipase A2 and a non-specific anti-inflammatory amino salicylic acid at 1.2 A resolution | | Descriptor: | 2-HYDROXY-4-AMINOBENZOIC ACID, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | | Authors: | Singh, N, Bilgrami, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2004-03-31 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal Structure of a complex formed between phospholipase A2 and a non-specific anti-inflammatory amino salicylic acid at 1.2 A resolution
To be Published
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4NMH
 | | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | | Descriptor: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | | Deposit date: | 2013-11-15 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
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1SYY
 | | Crystal structure of the R2 subunit of ribonucleotide reductase from Chlamydia trachomatis | | Descriptor: | FE (III) ION, LEAD (II) ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Hogbom, M, Stenmark, P, Voevodskaya, N, McClarty, G, Graslund, A, Nordlund, P. | | Deposit date: | 2004-04-02 | | Release date: | 2004-07-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass.
Science, 305, 2004
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7LGO
 | | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2 | | Descriptor: | Non-structural protein 3 | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2
To Be Published
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4NO8
 | | yCP in complex with Z-Leu-Leu-Leu-ketoamide | | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7YF7
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1JWC
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4NSK
 | | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Allerbring, E.B, Duru, A.D, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | | Deposit date: | 2013-11-28 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P
TO BE PUBLISHED
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2PTS
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7LKW
 | | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d (deuterated analog of inhibitor 3c) | | Descriptor: | (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2021-02-02 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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1JWS
 | | Crystal Structure of the Complex of the MHC Class II Molecule HLA-DR1 (HA peptide 306-318) with the Superantigen SEC3 Variant 3B1 | | Descriptor: | Enterotoxin type C-3, HA peptide, HLA class II histocompatibility antigen, ... | | Authors: | Sundberg, E.J, Andersen, P.S, Schlievert, P.M, Karjalainen, K, Mariuzza, R.A. | | Deposit date: | 2001-09-05 | | Release date: | 2003-07-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural, energetic, and functional analysis of a protein-protein interface at distinct stages of affinity
maturation
Structure, 11, 2003
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4O0O
 | | Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with 5-fluorouracil at 2.59 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-FLUOROURACIL, GLYCEROL, ... | | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-12-14 | | Release date: | 2014-01-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with 5-fluorouracil at 2.59 A resolution
To be Published
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2JPK
 | | Lactococcin G-b in DPC | | Descriptor: | Bacteriocin lactococcin-G subunit beta | | Authors: | Rogne, P, Fimland, G, Nissen-Meyer, J, Kristiansen, P.E. | | Deposit date: | 2007-05-15 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the two peptides that constitute the two-peptide bacteriocin lactococcin G
Biochim.Biophys.Acta, 1784, 2008
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1T5Q
 | | Solution Structure of GIP(1-30)amide in TFE/Water | | Descriptor: | Gastric inhibitory polypeptide | | Authors: | Alana, I, Hewage, C.M, Malthouse, J.P.G, Parker, J.C, Gault, V.A, O'Harte, F.P.M. | | Deposit date: | 2004-05-05 | | Release date: | 2004-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the glucose-dependent insulinotropic polypeptide fragment, GIP(1-30)amide.
Biochem.Biophys.Res.Commun., 325, 2004
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2JPL
 | | Lactococcin G-a in TFE | | Descriptor: | Bacteriocin lactococcin-G subunit alpha | | Authors: | Rogne, P, Fimland, G, Nissen-Meyer, J, Kristiansen, P.E. | | Deposit date: | 2007-05-15 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of the two peptides that constitute the two-peptide bacteriocin lactococcin G
Biochim.Biophys.Acta, 1784, 2008
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4JT2
 | | Structure of Clostridium thermocellum polynucleotide kinase bound to CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-28 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system.
Biochemistry, 52, 2013
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1T4W
 | | Structural Differences in the DNA Binding Domains of Human p53 and its C. elegans Ortholog Cep-1: Structure of C. elegans Cep-1 | | Descriptor: | C.Elegans p53 tumor suppressor-like transcription factor, ZINC ION | | Authors: | Huyen, Y, Jeffrey, P.D, Derry, W.B, Rothman, J.H, Pavletich, N.P, Stavridi, E.S, Halazonetis, T.D. | | Deposit date: | 2004-04-30 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Differences in the DNA Binding Domains of Human p53 and Its C. elegans Ortholog Cep-1.
Structure, 12, 2004
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4EMR
 | | Crystal Structure determination of type1 ribosome inactivating protein complexed with 7-methylguanosine-triphosphate at 1.75A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, rRNA N-glycosidase | | Authors: | Kumar, M, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina.
Proteins, 81, 2013
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1Q24
 | | PKA double mutant model of PKB in complex with MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ... | | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2003-07-23 | | Release date: | 2003-08-19 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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4ENU
 | | Structure of the S234D variant of E. coli KatE | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII | | Authors: | Loewen, P.C, Jha, V. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-02 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
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1Q52
 | | Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis | | Descriptor: | menB | | Authors: | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-08-05 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
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3BCX
 | | E1 Dehydrase | | Descriptor: | BENZAMIDINE, CDP-6-deoxy-L-threo-D-glycero-4-hexulose-3-dehydrase, FE (III) ION | | Authors: | Tsai, S.-C, Smith, P. | | Deposit date: | 2007-11-13 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | E1 Dehydrase.
To be Published
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1TC2
 | | TERNARY SUBSTRATE COMPLEX OF THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | | Authors: | Focia, P.J, Craig III, S.P, Eakin, A.E. | | Deposit date: | 1998-11-04 | | Release date: | 2000-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Approaching the transition state in the crystal structure of a phosphoribosyltransferase.
Biochemistry, 37, 1998
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4ENR
 | | Structure of E530I variant E. coli KatE | | Descriptor: | Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Loewen, P.C, Jha, V. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
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