2BAC
 
 | | Crystal structure of CLA-producing fatty acid isomerase from P. acnes | | 分子名称: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | 著者 | Rudolph, M.G, Liavonchanka, A. | | 登録日 | 2005-10-14 | | 公開日 | 2006-01-31 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1UMW
 | | Structure of a human Plk1 Polo-box domain/phosphopeptide complex | | 分子名称: | PEPTIDE, SERINE/THREONINE-PROTEIN KINASE PLK | | 著者 | Rellos, P, Elia, A, Yaffe, M.B, Smerdon, S.J. | | 登録日 | 2003-08-29 | | 公開日 | 2003-10-16 | | 最終更新日 | 2017-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Molecular Basis for Phosphodependent Substrate Targeting and Regulation of Plks by the Polo-Box Domain
Cell(Cambridge,Mass.), 115, 2003
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8PKO
 | | The ERAD misfolded glycoprotein checkpoint complex from Chaetomium thermophilum (EDEM:PDI heterodimer). | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Roversi, P, Hitchman, C.J, Lia, A, Bayo, Y. | | 登録日 | 2023-06-27 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | The ERAD misfolded glycoprotein checkpoint complex from Chaetomium thermophilum (EDEM:PDI heterodimer).
To Be Published
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2TEP
 | | PEANUT LECTIN COMPLEXED WITH T-ANTIGENIC DISACCHARIDE | | 分子名称: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | | 著者 | Ravishankar, R, Ravindran, M, Suguna, K, Surolia, A, Vijayan, M. | | 登録日 | 1999-04-05 | | 公開日 | 1999-04-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Specificity of Peanut Agglutinin for Thomsen-Friedenreich Antigen is Mediated by Water-Bridges
Curr.Sci., 72, 1997
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2021-02-05 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7DED
 | | Mevo lectin complex with mannoheptose (Man7) | | 分子名称: | 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | | 著者 | Sivaji, N, Surolia, A, Vijayan, M. | | 登録日 | 2020-11-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | | 主引用文献 | Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages.
Glycobiology, 31, 2021
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4GOW
 | | Crystal Structure of Ca2+/CaM:Kv7.4 (KCNQ4) B helix complex | | 分子名称: | CALCIUM ION, Calmodulin, Potassium voltage-gated channel subfamily KQT member 4 | | 著者 | Xu, Q, Chang, A, Tolia, A, Minor Jr, D.L. | | 登録日 | 2012-08-20 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of a Ca(2+)/CaM:Kv7.4 (KCNQ4) B-helix complex provides insight into M current modulation.
J.Mol.Biol., 425, 2013
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2GES
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (RT) | | 分子名称: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | 著者 | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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2GET
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (LT) | | 分子名称: | GLYCEROL, Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | 著者 | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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2GEV
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (LT) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Pantothenate kinase, ... | | 著者 | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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2GEU
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (RT) | | 分子名称: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | 著者 | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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3LT2
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T3 | | 分子名称: | 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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4P9E
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3LT1
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2 | | 分子名称: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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3LT0
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1 | | 分子名称: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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3LSY
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T0 | | 分子名称: | 3-hydroxy-4-phenoxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Maity, K, Bhargav, S.P, Surolia, N, Surolia, A, Suguna, K. | | 登録日 | 2010-02-14 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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2G88
 | | MSRECA-dATP COMPLEX | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | | 著者 | Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M. | | 登録日 | 2006-03-02 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery.
Nucleic Acids Res., 34, 2006
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4PN7
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5XLW
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | 著者 | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | 登録日 | 2017-05-11 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XMB
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A | | 分子名称: | Pantothenate kinase, SULFATE ION | | 著者 | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | 登録日 | 2017-05-13 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XLV
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | | 著者 | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | 登録日 | 2017-05-11 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5DCK
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4R6R
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4R6Q
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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4R6O
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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