2VZK
 
 | | Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ... | | 著者 | Iqbal, A, Clifton, I.J, Schofield, C.J. | | 登録日 | 2008-08-01 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Anatomy of a Simple Acyl Intermediate in Enzyme Catalysis: Combined Biophysical and Modeling Studies on Ornithine Acetyl Transferase.
J.Am.Chem.Soc., 131, 2009
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2N5A
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2N5B
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2V4I
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2WPW
 | | Tandem GNAT protein from the clavulanic acid biosynthesis pathway (without AcCoA) | | 分子名称: | ACETYL COENZYME *A, ORF14 | | 著者 | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | | 登録日 | 2009-08-11 | | 公開日 | 2009-12-29 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
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2WPX
 | | Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA) | | 分子名称: | ACETYL COENZYME *A, GLYCEROL, ORF14 | | 著者 | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | | 登録日 | 2009-08-11 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
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5KE3
 | | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | | 分子名称: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-09 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
to be published
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5KE2
 | | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | | 分子名称: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-09 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
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4Z02
 | | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | | 著者 | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-25 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
to be published
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2XFT
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | GLYCEROL, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-26 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XFS
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-26 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XH9
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-06-09 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XEP
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | CHLORIDE ION, GLYCEROL, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-17 | | 公開日 | 2011-06-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XGN
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | GLYCEROL, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-06-07 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2XF3
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | 分子名称: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | 登録日 | 2010-05-20 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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2YEP
 | | STRUCTURE OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2, IN COMPLEX WITH GLUTAMATE | | 分子名称: | ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN, ... | | 著者 | Chowdhury, R, Iqbal, A, Clifton, I.J, Schofield, C.J. | | 登録日 | 2011-03-29 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Biochemical Analyses Reveal How Ornithine Acetyl Transferase Binds Acidic and Basic Amino Acid Substrates.
Org.Biomol.Chem., 9, 2011
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6D6X
 | | HSP40 co-chaperone Sis1 J-domain | | 分子名称: | Type II HSP40 co-chaperone | | 著者 | Pinheiro, G.M.S, Amorim, G.C, Iqbal, A, Ramos, C.H.I, Almeida, F.C.L. | | 登録日 | 2018-04-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR investigation on the structure and function of the isolated J-domain from Sis1: Evidence of transient inter-domain interactions in the full-length protein.
Arch.Biochem.Biophys., 669, 2019
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4QQ6
 | | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | | 分子名称: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-26 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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4QQD
 | | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | | 分子名称: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-27 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-10-11 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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5BVW
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVK
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | 分子名称: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVO
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVN
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | 分子名称: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | | 著者 | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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