1IO8
 
 | | Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: High resolution structural origin of its thermostability and functional properties | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties
J.Inorg.Biochem., 91, 2002
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2ONI
 | | Catalytic Domain of the Human NEDD4-like E3 Ligase | | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like protein, SODIUM ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-24 | | Release date: | 2007-04-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | NEDD4-like E3 Ubiquitin-protein Ligase
To be Published
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8TVZ
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8PMS
 | | NADase from Aspergillus fumigatus with replaced C-terminus from Neurospora crassa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | Deposit date: | 2023-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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8PMR
 | | NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | Deposit date: | 2023-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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5G1F
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A | | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2016-03-25 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
To be Published
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1G85
 | | CRYSTAL STRUCTURE OF BOVINE ODORANT BINDING PROTEIN COMPLEXED WITH IS NATURAL LIGAND | | Descriptor: | (3R)-oct-1-en-3-ol, ODORANT-BINDING PROTEIN | | Authors: | Vincent, F, Spinelli, S, Cambillau, C, Tegoni, M. | | Deposit date: | 2000-11-16 | | Release date: | 2002-06-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The insect attractant 1-octen-3-ol is the natural ligand of bovine odorant-binding protein.
J.Biol.Chem., 276, 2001
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6K2D
 | | The crystal structure of GBP1 with LRR domain of IpaH9.8 | | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8, Guanylate-binding protein 1 | | Authors: | Ji, C.G, Xiao, J.Y. | | Deposit date: | 2019-05-14 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8.
Plos Pathog., 15, 2019
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1IO9
 | | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties.
J.Inorg.Biochem., 91, 2002
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7FB7
 | | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | | Authors: | Kori, S, Arita, K, Yoshimi, S. | | Deposit date: | 2021-07-08 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg.Med.Chem., 52, 2021
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2DIE
 | | Alkaline alpha-amylase AmyK from Bacillus sp. KSM-1378 | | Descriptor: | CALCIUM ION, SODIUM ION, amylase | | Authors: | Shirai, T, Igarashi, K, Ozawa, T, Hagihara, H, Kobayashi, T, Ozaki, K, Ito, S. | | Deposit date: | 2006-03-29 | | Release date: | 2007-02-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ancestral sequence evolutionary trace and crystal structure analyses of alkaline alpha-amylase from Bacillus sp. KSM-1378 to clarify the alkaline adaptation process of proteins
Proteins, 66, 2007
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4QPE
 | | Crystal structure of Aminopeptidase N in complex with N-cyclohexyl-1,2-diaminoethylphosphonic acid | | Descriptor: | Aminopeptidase N, SULFATE ION, ZINC ION, ... | | Authors: | Nocek, B, Mulligan, R, Berlicki, L, Vassilious, S, Mucha, A, Joachimiak, A. | | Deposit date: | 2014-06-23 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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4QME
 | | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe | | Descriptor: | (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... | | Authors: | Nocek, B, Vassilious, S, Mulligan, R, Berlicki, L, Mucha, A, Joachimiak, A. | | Deposit date: | 2014-06-16 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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1IO7
 | | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-02-08 | | Release date: | 2001-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties.
J.Inorg.Biochem., 91, 2002
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1EUZ
 | | GLUTAMATE DEHYDROGENASE FROM THERMOCOCCUS PROFUNDUS IN THE UNLIGATED STATE | | Descriptor: | GLUTAMATE DEHYDROGENASE, SULFATE ION | | Authors: | Nakasako, M. | | Deposit date: | 2000-04-19 | | Release date: | 2001-04-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Large-scale domain movements and hydration structure changes in the active-site cleft of unligated glutamate dehydrogenase from Thermococcus profundus studied by cryogenic X-ray crystal structure analysis and small-angle X-ray scattering.
Biochemistry, 40, 2001
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2P0L
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1B9T
 | | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 1999-02-15 | | Release date: | 1999-02-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
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3BLL
 | | TGT mutant in complex with Boc-preQ1 | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2007-12-11 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor
Plos One, 8, 2013
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1VKZ
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5LO0
 | | HSP90 WITH indazole derivative | | Descriptor: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | Authors: | Graedler, U, Amaral, M, Schuetz, D. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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6QVT
 | | CMP-Sialic acid bound structure of the human wild type Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6Gal1) | | Descriptor: | Beta-galactoside alpha-2,6-sialyltransferase 1, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, DI(HYDROXYETHYL)ETHER | | Authors: | Harrus, D, Glumoff, T. | | Deposit date: | 2019-03-04 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Unliganded and CMP-Neu5Ac bound structures of human alpha-2,6-sialyltransferase ST6Gal I at high resolution.
J.Struct.Biol., 212, 2020
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5LNZ
 | | HSP90 WITH indazole derivative | | Descriptor: | Heat shock protein HSP 90-alpha, ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide | | Authors: | Graedler, U, Amaral, M, Schuetz, D. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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5LO1
 | | HSP90 WITH indazole derivative | | Descriptor: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M, Schuetz, D. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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8DWH
 | | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | | Descriptor: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-01 | | Release date: | 2022-11-02 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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5LNY
 | | HSP90 WITH indazole derivative | | Descriptor: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M, Schuetz, D. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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