4YWK
 
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4X1M
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1FZH
 | | METHANE MONOOXYGENASE HYDROXYLASE, FORM II PRESSURIZED WITH XENON GAS | | Descriptor: | CALCIUM ION, FE (III) ION, METHANE MONOOXYGENASE COMPONENT A, ... | | Authors: | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | | Deposit date: | 2000-10-03 | | Release date: | 2001-04-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase.
Biochemistry, 40, 2001
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1G45
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-26 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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1G4J
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-27 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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1G46
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-26 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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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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4M7P
 | | Ensemble refinement of protein crystal structure of macrolide glycosyltransferases OleD | | Descriptor: | Oleandomycin glycosyltransferase, SODIUM ION | | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-08-12 | | Release date: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of macrolide glycosyltransferases OleD
To be Published
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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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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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1FZ8
 | | METHANE MONOOXYGENASE HYDROXYLASE, FORM II COCRYSTALLIZED WITH DIBROMOMETHANE | | Descriptor: | CALCIUM ION, DIBROMOMETHANE, FE (III) ION, ... | | Authors: | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | | Deposit date: | 2000-10-03 | | Release date: | 2001-04-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase.
Biochemistry, 40, 2001
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3GI5
 | | Crystal structure of protease inhibitor, KB62 in complex with wild type HIV-1 protease | | Descriptor: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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1G53
 | | CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-30 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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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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3G3A
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4NPH
 | | Crystal structure of SsaN from Salmonella enterica | | Descriptor: | Probable secretion system apparatus ATP synthase SsaN | | Authors: | Sugiman-Marangos, S.N, Zhang, K, Cooper, C.A, Coombes, B.K, Junop, M.S. | | Deposit date: | 2013-11-21 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of SsaN from Salmonella enterica
J.Biol.Chem., 2014
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1GFW
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1G3Z
 | | CARBONIC ANHYDRASE II (F131V) | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-25 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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4YNO
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4ORK
 | | Crystal Structure of the Phosphotransferase Domain of the Bifunctional Aminoglycoside Resistance Enzyme AAC(6')-Ie-APH(2'')-Ia | | Descriptor: | Bifunctional AAC/APH, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Smith, C.A, Toth, M, Bhattacharya, M, Frase, H, Vakulenko, S.B. | | Deposit date: | 2014-02-11 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the phosphotransferase domain of the bifunctional aminoglycoside-resistance enzyme AAC(6')-Ie-APH(2'')-Ia.
Acta Crystallogr.,Sect.D, 70, 2014
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3G3B
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4WJ9
 | | Structure of Human apo ALDH1A1 | | Descriptor: | CHLORIDE ION, Retinal dehydrogenase 1, YTTERBIUM (III) ION | | Authors: | Morgan, C.A, Hurley, T.D. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 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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1GBR
 | | ORIENTATION OF PEPTIDE FRAGMENTS FROM SOS PROTEINS BOUND TO THE N-TERMINAL SH3 DOMAIN OF GRB2 DETERMINED BY NMR SPECTROSCOPY | | Descriptor: | GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, SOS-A PEPTIDE | | Authors: | Wittekind, M, Mapelli, C, Farmer, B.T, Suen, K.-L, Goldfarb, V, Tsao, J, Lavoie, T, Barbacid, M, Meyers, C.A, Mueller, L. | | Deposit date: | 1994-08-12 | | Release date: | 1995-01-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy.
Biochemistry, 33, 1994
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3G5T
 | | Crystal structure of trans-aconitate 3-methyltransferase from yeast | | Descriptor: | (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Burgie, E.S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-03 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.119 Å) | | Cite: | Crystal structure of trans-aconitate 3-methyltransferase from yeast
To be Published
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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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