5C83
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | | 分子名称: | (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 | | 著者 | 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. | | 登録日 | 2015-06-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | 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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4RE3
 | | Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, ... | | 著者 | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | | 登録日 | 2014-09-21 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
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7K89
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4MB4
 | | Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | | 著者 | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | | 登録日 | 2013-08-19 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.481 Å) | | 主引用文献 | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
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4J3U
 | | Crystal structure of barley limit dextrinase in complex with maltosyl-S-betacyclodextrin | | 分子名称: | CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-1)]6-thio-alpha-D-glucopyranose, ... | | 著者 | Sim, L, Windahl, M.S, Moeller, M.S, Henriksen, A. | | 登録日 | 2013-02-06 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Oligosaccharide and substrate binding in the starch debranching enzyme barley limit dextrinase
J.Mol.Biol., 427, 2015
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2Q4D
 | | Ensemble refinement of the crystal structure of a lysine decarboxylase-like protein from Arabidopsis thaliana gene At5g11950 | | 分子名称: | 1,2-ETHANEDIOL, Lysine decarboxylase-like protein At5g11950, NITRATE ION | | 著者 | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2007-05-31 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | | 主引用文献 | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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4QVH
 | | Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein | | 分子名称: | CITRATE ANION, COENZYME A, GLYCEROL, ... | | 著者 | Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N. | | 登録日 | 2014-07-15 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
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6FT2
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1UTT
 | | Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | | 分子名称: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | 著者 | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | | 登録日 | 2003-12-10 | | 公開日 | 2004-12-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.
J. Mol. Biol., 341, 2004
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3B9D
 | | Crystal structure of Vibrio harveyi chitinase A complexed with pentasaccharide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | 著者 | Songsiriritthigul, C, Aguda, A.H, Robinson, R.C, Suginta, W. | | 登録日 | 2007-11-05 | | 公開日 | 2008-04-01 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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5AP1
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | 分子名称: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, DUAL SPECIFICITY PROTEIN KINASE TTK, GLYCEROL, ... | | 著者 | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | 登録日 | 2015-09-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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1KTW
 | | IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS | | 分子名称: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | 著者 | Michel, G, Kahn, R, Dideberg, O. | | 登録日 | 2002-01-18 | | 公開日 | 2003-06-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
J.Mol.Biol., 334, 2003
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2Q9L
 | | Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P43212) | | 分子名称: | Hypothetical protein, MAGNESIUM ION | | 著者 | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | 登録日 | 2007-06-13 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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7LKJ
 | | Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) | | 分子名称: | 1,2-ETHANEDIOL, Aminofutalosine deaminase, FE (III) ION | | 著者 | Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2021-02-02 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
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1B5L
 | | OVINE INTERFERON TAU | | 分子名称: | INTERFERON TAU, SULFATE ION | | 著者 | Radhakrishnan, R, Walter, L.J, Subramaniam, P.S, Johnson, H.J, Walter, M.R. | | 登録日 | 1999-01-07 | | 公開日 | 1999-05-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of ovine interferon-tau at 2.1 A resolution.
J.Mol.Biol., 286, 1999
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4LY9
 | | Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | | 分子名称: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | Jordan, S.R. | | 登録日 | 2013-07-30 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
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3WL1
 | | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3 | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q. | | 登録日 | 2013-11-05 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | | 主引用文献 | Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
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5VCW
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib | | 分子名称: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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5SCB
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 28 | | 分子名称: | (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | 著者 | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | 登録日 | 2021-12-01 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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1AVA
 | | AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED | | 分子名称: | BARLEY ALPHA-AMYLASE 2(CV MENUET), BARLEY ALPHA-AMYLASE/SUBTILISIN INHIBITOR, CALCIUM ION | | 著者 | Vallee, F, Kadziola, A, Bourne, Y, Juy, M, Svensson, B, Haser, R. | | 登録日 | 1997-09-15 | | 公開日 | 1999-03-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Barley alpha-amylase bound to its endogenous protein inhibitor BASI: crystal structure of the complex at 1.9 A resolution.
Structure, 6, 1998
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6S9O
 | | Designed Armadillo Repeat protein internal Lock1 fused to target peptide KRKRKLKFKR | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, designed Armadillo repeat protein with internal Lock1 fused to target peptide KRKRKLKFKR | | 著者 | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | 登録日 | 2019-07-15 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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7LAY
 | | Crystal structure of the first bromodomain (BD1) of human BRD3 bound to SG3-179 | | 分子名称: | 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3, ... | | 著者 | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | | 登録日 | 2021-01-07 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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5B6S
 | | Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase | | 分子名称: | CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein | | 著者 | Tonozuka, T. | | 登録日 | 2016-06-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of the Catalytic Domain of alpha-L-Arabinofuranosidase from Coprinopsis cinerea, CcAbf62A, Provides Insights into Structure-Function Relationships in Glycoside Hydrolase Family 62
Appl. Biochem. Biotechnol., 181, 2017
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5C7A
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | 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. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | 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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5C8N
 | | EGFR kinase domain mutant "TMLR" with compound 23 | | 分子名称: | Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2015-06-25 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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