5C7A
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | | Descriptor: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C83
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-25 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C7D
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C84
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20 | | Descriptor: | (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-25 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | Descriptor: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | Descriptor: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C0K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C7C
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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1OUQ
 | | Crystal structure of wild-type Cre recombinase-loxP synapse | | Descriptor: | Cre recombinase, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D. | | Deposit date: | 2003-03-25 | | Release date: | 2003-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
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4BL4
 | | Further structural insights into the binding of complement factor H by complement regulator acquiring surface protein 1, CspA (BbCRASP-1), of Borrelia burgdorferi. | | Descriptor: | COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 1 (CRASP-1) | | Authors: | Caesar, J.J.E, Wallich, R, Kraiczy, P, Zipfel, P.F, Lea, S.M. | | Deposit date: | 2013-05-01 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.06 Å) | | Cite: | Further Structural Insights Into the Binding of Complement Factor H by Complement Regulator-Acquiring Surface Protein 1 (CspA) of Borrelia Burgdorferi.
Acta Crystallogr.,Sect.F, 69, 2013
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1MPR
 | | MALTOPORIN FROM SALMONELLA TYPHIMURIUM | | Descriptor: | CALCIUM ION, MALTOPORIN | | Authors: | Meyer, J.E.W, Schulz, G.E. | | Deposit date: | 1996-12-18 | | Release date: | 1997-03-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of maltoporin from Salmonella typhimurium ligated with a nitrophenyl-maltotrioside.
J.Mol.Biol., 266, 1997
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1OE6
 | | Xenopus SMUG1, an anti-mutator uracil-DNA Glycosylase | | Descriptor: | 5'-D(*CP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*G)-3', 5'-D(*CP*GP*GP*AP*CP*TP*3DRP*AP*CP*GP*GP*G)-3', 5-HYDROXYMETHYL URACIL, ... | | Authors: | Wibley, J.E.A, Pearl, L.H. | | Deposit date: | 2003-03-19 | | Release date: | 2003-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Mol.Cell, 11, 2003
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4ALF
 | | Pseudomonas fluorescens PhoX in complex with phosphate | | Descriptor: | 1,2-ETHANEDIOL, ALKALINE PHOSPHATASE PHOX, CALCIUM ION, ... | | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | | Deposit date: | 2012-03-02 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
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1OE5
 | | Xenopus SMUG1, an anti-mutator uracil-DNA Glycosylase | | Descriptor: | 2'-DEOXYURIDINE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*CP*3DRP*GP*GP*AP*CP*TP*3DRP*AP*CP*GP*GP*GP)-3', ... | | Authors: | Wibley, J.E.A, Pearl, L.H. | | Deposit date: | 2003-03-19 | | Release date: | 2003-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Mol.Cell, 11, 2003
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4BF3
 | | ErpC, a member of the complement regulator acquiring family of surface proteins from Borrelia burgdorfei, possesses an architecture previously unseen in this protein family. | | Descriptor: | 1,2-ETHANEDIOL, ERPC | | Authors: | Caesar, J.J.E, Johnson, S, Kraiczy, P, Lea, S.M. | | Deposit date: | 2013-03-14 | | Release date: | 2013-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Erpc, a Member of the Complement Regulator-Acquiring Family of Surface Proteins from Borrelia Burgdorferi, Possesses an Architecture Previously Unseen in This Protein Family.
Acta Crystallogr.,Sect.F, 69, 2013
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4ACJ
 | | Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish | | Descriptor: | WU:FB25H12 PROTEIN, | | Authors: | Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S. | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
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4A9V
 | | Pseudomonas fluorescens PhoX | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | | Deposit date: | 2011-11-28 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
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4A9X
 | | Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, MU-OXO-DIIRON, ... | | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | | Deposit date: | 2011-11-29 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
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4AMF
 | | Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | | Deposit date: | 2012-03-09 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
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1Q3U
 | | Crystal structure of a wild-type Cre recombinase-loxP synapse: pre-cleavage complex | | Descriptor: | Cre recombinase, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D. | | Deposit date: | 2003-08-01 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
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1NPQ
 | | structure of a rhodamine-labeled N-domain Troponin C mutant (Ca2+ saturated) in complex with skeletal Troponin I 115-131 | | Descriptor: | CALCIUM ION, Troponin C, Troponin I | | Authors: | Mercier, P, Ferguson, R.E, Irving, M, Corrie, J.E.T, Trentham, D.R, Sykes, B.D. | | Deposit date: | 2003-01-18 | | Release date: | 2003-04-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of a Bifunctional Rhodamine Labeled N-Domain of Troponin C Complexed with the Regulatory
"Switch" Peptide from Troponin I: Implications for in Situ Fluorescence Studies in Muscle Fibers
Biochemistry, 42, 2003
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1Q3V
 | | Crystal structure of a wild-type Cre recombinase-loxP synapse: phosphotyrosine covalent intermediate | | Descriptor: | Cre recombinase, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D. | | Deposit date: | 2003-08-01 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
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1NZB
 | | Crystal structure of wild type Cre recombinase-loxP synapse | | Descriptor: | Cre recombinase, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D. | | Deposit date: | 2003-02-17 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
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1OE4
 | | Xenopus SMUG1, an anti-mutator uracil-DNA Glycosylase | | Descriptor: | 5'-D(*CP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*G)-3', 5'-D(*CP*GP*GP*AP*CP*TP*3DR*AP*CP*GP*GP*G)-3', GLYCEROL, ... | | Authors: | Wibley, J.E.A, Pearl, L.H. | | Deposit date: | 2003-03-19 | | Release date: | 2003-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Mol.Cell, 11, 2003
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