3EL1
 
 | | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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3EKY
 | | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2008-09-19 | | Release date: | 2009-09-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
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3EWF
 | | Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate. | | Descriptor: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ... | | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2008-10-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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5UI2
 | | CRYSTAL STRUCTURE OF ORANGE CAROTENOID PROTEIN | | Descriptor: | (3'R)-3'-hydroxy-beta,beta-caroten-4-one, CHLORIDE ION, Orange carotenoid-binding protein, ... | | Authors: | KERFELD, C.A, SAWAYA, M.R, VISHNU, B, KROGMANN, D, YEATES, T.O. | | Deposit date: | 2017-01-12 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of a cyanobacterial water-soluble carotenoid binding protein.
Structure, 11, 2003
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7JJA
 | | Crystal structure of the ZinT-like domain of Streptococcus pneumoniae AdcA in the apo form | | Descriptor: | SODIUM ION, Zinc-binding lipoprotein AdcA, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | | Deposit date: | 2020-07-24 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
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1ND7
 | | Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase | | Descriptor: | WW domain-containing protein 1 | | Authors: | Verdecia, M.A, Joaziero, C.A.P, Wells, N.J, Ferrer, J.-L, Bowman, M.E, Hunter, T, Noel, J.P. | | Deposit date: | 2002-12-08 | | Release date: | 2003-09-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational Flexibility Underlies Ubiquitin Ligation Mediated by the WWP1 HECT domain E3 Ligase
Mol.Cell, 11, 2003
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2OK9
 | | PrTX-I-BPB | | Descriptor: | ISOPROPYL ALCOHOL, Phospholipase A2 homolog 1, p-Bromophenacyl bromide | | Authors: | Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R. | | Deposit date: | 2007-01-16 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a phospholipase A(2) homolog complexed with p-bromophenacyl bromide reveals important structural changes associated with the inhibition of myotoxic activity.
Biochim.Biophys.Acta, 1794, 2009
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4V4M
 | | 1.45 Angstrom Structure of STNV coat protein | | Descriptor: | CALCIUM ION, Coat protein | | Authors: | Lane, S.W, Dennis, C.A, Lane, C.L, Trinh, C.H, Rizkallah, P.J, Stockley, P.G, Phillips, S.E.V. | | Deposit date: | 2011-04-28 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 2011
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4W79
 | | Crystal Structure of Human Protein N-terminal Glutamine Amidohydrolase | | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, Protein N-terminal glutamine amidohydrolase, ... | | Authors: | Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human protein N-terminal glutamine amidohydrolase, an initial component of the N-end rule pathway.
Plos One, 9, 2014
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4WD1
 | | Acetoacetyl-CoA Synthetase from Streptomyces lividans | | Descriptor: | 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION | | Authors: | Gulick, A.M, Mitchell, C.A. | | Deposit date: | 2014-09-05 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain.
Proteins, 83, 2015
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4WB9
 | | Human ALDH1A1 complexed with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2014-09-02 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1.
Chem.Biol.Interact., 234, 2015
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4WH6
 | | Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir | | Descriptor: | Genome polyprotein, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, SULFATE ION, ... | | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | | Deposit date: | 2014-09-20 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
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4WLJ
 | | High resolution crystal structure of human kynurenine aminotransferase-I in complex with aminooxyacetate | | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Kynurenine--oxoglutarate transaminase 1 | | Authors: | Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B. | | Deposit date: | 2014-10-07 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | High resolution crystal structures of human kynurenine aminotransferase-I bound to PLP cofactor, and in complex with aminooxyacetate.
Protein Sci., 26, 2017
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4WP0
 | | Crystal structure of human kynurenine aminotransferase-I with a C-terminal V5-hexahistidine tag | | Descriptor: | Kynurenine--oxoglutarate transaminase 1 | | Authors: | Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B. | | Deposit date: | 2014-10-17 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human kynurenine aminotransferase-I in a novel space group
To be published
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4WV7
 | | HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE | | Descriptor: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B | | Authors: | Kirby, C.A, Baird, J, Stams, T. | | Deposit date: | 2014-11-04 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The novolactone natural product disrupts the allosteric regulation of hsp70.
Chem.Biol., 22, 2015
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4WH8
 | | Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. | | Descriptor: | Genome polyprotein, SULFATE ION, ZINC ION, ... | | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | | Deposit date: | 2014-09-20 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
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4WHA
 | | Lipoxygenase-1 (soybean) L546A/L754A mutant | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FE (III) ION, ... | | Authors: | Scouras, A.D, Carr, C.A.M, Hu, S, Klinman, J.P. | | Deposit date: | 2014-09-21 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation.
J.Am.Chem.Soc., 136, 2014
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4WF8
 | | Crystal structure of NS3/4A protease in complex with Asunaprevir | | Descriptor: | CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protein, ... | | Authors: | Schiffer, C.A, Soumana, D.I, Ali, A. | | Deposit date: | 2014-09-13 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
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4WSG
 | | Crystal Structure of Soluble WR PIV5 F-GCNt | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | | Authors: | Poor, T.A, Song, A.S, Welch, B.D, Kors, C.A, Jardetzky, T.S, Lamb, R.A. | | Deposit date: | 2014-10-27 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of Soluble WR PIV5 F-GCNt
J.Virol., 89, 2015
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4X4L
 | | Structure of human ALDH1A1 with inhibitor CM037 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2014-12-03 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors.
J.Med.Chem., 58, 2015
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4WP7
 | | Structure of human ALDH1A1 with inhibitor CM026 | | Descriptor: | 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors.
J.Med.Chem., 58, 2015
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4WU8
 | | Structure of trPtNAP-NCP145 | | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Chua, E.Y.D, Davey, C.A. | | Deposit date: | 2014-10-31 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Stereochemical control of nucleosome targeting by platinum-intercalator antitumor agents.
Nucleic Acids Res., 43, 2015
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4WLH
 | | High resolution crystal structure of human kynurenine aminotransferase-I bound to PLP cofactor | | Descriptor: | Kynurenine--oxoglutarate transaminase 1 | | Authors: | Nadvi, N.A, Salam, N.K, Park, J, Akladios, F.N, Kapoor, V, Collyer, C.A, Gorrell, M.D, Church, W.B. | | Deposit date: | 2014-10-07 | | Release date: | 2014-12-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | High resolution crystal structures of human kynurenine aminotransferase-I bound to PLP cofactor, and in complex with aminooxyacetate.
Protein Sci., 26, 2017
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4WFO
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4WKY
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-10-03 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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