7CN3
 
 | | 2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid | | Descriptor: | (~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid, 1,2-ETHANEDIOL, 2,5-dihydroxypyridine 5,6-dioxygenase, ... | | Authors: | Liu, G.Q, Tang, H.Z. | | Deposit date: | 2020-07-30 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid
Nat Commun, 2020
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3SEP
 | | E. coli (lacZ) beta-galactosidase (S796A) | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-06-10 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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3ODI
 | | Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247 | | Descriptor: | Cyclophilin A, Voclosporin | | Authors: | Kuglstatter, A, Stihle, M, Benz, J, Hennig, M. | | Deposit date: | 2010-08-11 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Acta Crystallogr.,Sect.D, 67, 2011
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3T0B
 | | E. coli (LacZ) beta-galactosidase (S796T) IPTG complex | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | er-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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3T0A
 | | E. coli (LacZ) beta-galactosidase (S796T) | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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3T2O
 | | E. coli (lacZ) beta-galactosidase (S796D) | | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-22 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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9FXM
 | | TRPC4 in complex with Z-AzPico | | Descriptor: | (Z)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione, Transient receptor potential cation channel subfamily c member 4a | | Authors: | Vinayagam, D, Raunser, S. | | Deposit date: | 2024-07-01 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | TRPC4 in complex with Z-AzPico
To Be Published
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4AVG
 | | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2 | | Descriptor: | (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA | | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | | Deposit date: | 2012-05-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase.
Plos Pathog., 8, 2012
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9J8G
 | | mouse zbp1 hybrid complex | | Descriptor: | DNA (5'-D(P*CP*AP*CP*GP*CP*A)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*G)-3'), Z-DNA-binding protein 1 | | Authors: | Gao, A.M, Zhoiu, C. | | Deposit date: | 2024-08-21 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | ZBP1 senses spliceosome stress through Z-RNA:DNA hybrid recognition.
Mol.Cell, 85, 2025
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4PKK
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3ODL
 | | Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247 | | Descriptor: | Cyclophilin A, Voclosporin | | Authors: | Kuglstatter, A, Stihle, M, Benz, J, Hennig, M. | | Deposit date: | 2010-08-11 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Acta Crystallogr.,Sect.D, 67, 2011
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4FLK
 | | Human MetAP1 with bengamide analog Y10, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
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4FLI
 | | Human MetAP1 with bengamide analog Y16, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
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4FLJ
 | | Human MetAP1 with bengamide analog Y08, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
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4FLL
 | | Human MetAP1 with bengamide analog YZ6, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
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1YA4
 | | Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen | | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ... | | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | | Deposit date: | 2004-12-17 | | Release date: | 2005-08-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352, 2005
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1FJ5
 | | TAMOXIFEN-DNA ADDUCT | | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J. | | Deposit date: | 2000-08-07 | | Release date: | 2000-09-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove.
J.Mol.Biol., 302, 2000
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3PKC
 | | M. tuberculosis MetAP with bengamide analog Y08, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2010-11-11 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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3PKD
 | | M. tuberculosis MetAP with bengamide analog Y10, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2010-11-11 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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3PKE
 | | M. tuberculosis MetAP with bengamide analog Y10, in Ni form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2010-11-11 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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3PKB
 | | M. tuberculosis MetAP with bengamide analog Y16, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2010-11-11 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
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1KMI
 | | CRYSTAL STRUCTURE OF AN E.COLI CHEMOTAXIS PROTEIN, CHEZ | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, BICINE, Chemotaxis protein cheY, ... | | Authors: | Zhao, R, Collins, E.J, Bourret, R.B, Silversmith, R.E. | | Deposit date: | 2001-12-16 | | Release date: | 2002-07-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and catalytic mechanism of the E. coli chemotaxis phosphatase CheZ.
Nat.Struct.Biol., 9, 2002
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1KTL
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | Authors: | Holmes, M.A, Strong, R.K. | | Deposit date: | 2002-01-16 | | Release date: | 2003-02-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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1KG5
 | | Crystal structure of the K142Q mutant of E.coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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1KG6
 | | Crystal structure of the K142R mutant of E.coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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