2RKX
| The 3D structure of chain D, cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase | Descriptor: | Cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase | Authors: | Tawfik, D, Khersonsky, O, Albeck, S, Dym, O, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2007-10-18 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kemp elimination catalysts by computational enzyme design. Nature, 453, 2008
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2HHN
| Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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2X8E
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2X8I
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2I0X
| Hypothetical protein PF1117 from Pyrococcus furiosus | Descriptor: | Hypothetical protein PF1117 | Authors: | Chen, L.Q, Fu, Z.-Q, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-08-11 | Release date: | 2006-10-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Hypothetical Protein Pf1117 from Pyrococcus furiosus To be Published
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2F1G
| Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | Descriptor: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2005-11-14 | Release date: | 2006-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006
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4MC5
| Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | New world bats harbor diverse influenza a viruses. Plos Pathog., 9, 2013
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1OMN
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4MC7
| Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J. | Deposit date: | 2013-08-21 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | New world bats harbor diverse influenza a viruses. Plos Pathog., 9, 2013
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8SQ9
| SARS-CoV-2 replication-transcription complex bound to nsp9 and UMPCPP, as a pre-catalytic NMPylation intermediate | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Small, G.I, Darst, S.A, Campbell, E.A. | Deposit date: | 2023-05-04 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain. Mol.Cell, 83, 2023
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8SQJ
| SARS-CoV-2 replication-transcription complex bound to RNA-nsp9, as a noncatalytic RNA-nsp9 binding mode | Descriptor: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Small, G.I, Darst, S.A, Campbell, E.A. | Deposit date: | 2023-05-04 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain. Mol.Cell, 83, 2023
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8SQK
| SARS-CoV-2 replication-transcription complex bound to RNA-nsp9 and GDP-betaS, as a pre-catalytic deRNAylation/mRNA capping intermediate | Descriptor: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Small, G.I, Darst, S.A, Campbell, E.A. | Deposit date: | 2023-05-04 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain. Mol.Cell, 83, 2023
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5T7F
| PI3Kdelta in complex with the inhibitor GS-643624 | Descriptor: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A. | Deposit date: | 2016-09-04 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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4K3X
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4K3Y
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2QST
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4KXF
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2QSQ
| Crystal structure of the N-terminal domain of carcinoembryonic antigen (CEA) | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 5, GLYCEROL | Authors: | Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E. | Deposit date: | 2007-07-31 | Release date: | 2008-01-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation. Mol.Microbiol., 67, 2008
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2W9T
| Staphylococcus aureus S1:DHFR | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-28 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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2W9S
| Staphylococcus aureus S1:DHFR in complex with trimethoprim | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-28 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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6UN4
| Crystal structure of rsEGFP2, Y67(3-ClY), Y107(3-ClY) | Descriptor: | Green fluorescent protein, SULFATE ION | Authors: | Lin, C.-Y, Romei, M.G, Boxer, S.G, Chang, J. | Deposit date: | 2019-10-10 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms. J Photochem Photobiol A Chem, 401, 2020
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2W9G
| Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Soutter, H.H, Miller, J.R. | Deposit date: | 2009-01-23 | Release date: | 2009-03-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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2W9H
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6BG9
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4OR1
| Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae | Descriptor: | ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ... | Authors: | Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S. | Deposit date: | 2014-02-10 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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