PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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4FOS	Crystal Structure of Shikimate Dehydrogenase (aroE) Q237A Mutant from Helicobacter pylori in Complex with Shikimate 分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase 著者 Cheng, W.C, Chen, T.J, Wang, W.C. 登録日 2012-06-21 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献
3ULD	High resolution structure of DNA/RNA hybrid in complex with RNase H catalytic domain D132N mutant 分子名称: DNA (5'-D(*AP*TP*GP*TP*CP*(PGN))-3'), MAGNESIUM ION, RNA (5'-R(*UP*CP*GP*AP*CP*A)-3'), ... 著者 Gan, J.H, Abdur, R, Huang, Z. 登録日 2011-11-10 公開日 2012-11-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 RNA/DNA hybrid in complex with RNase H catalytic domain mutant D132N To be Published
6XBF	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G 分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G 著者 Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. 登録日 2020-06-05 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
3UVT	Crystal structure of the third catalytic domain of ERp46 分子名称: SULFATE ION, Thioredoxin domain-containing protein 5 著者 Kozlov, G, Gulerez, I.E, Gehring, K. 登録日 2011-11-30 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the third catalytic domain of the protein disulfide isomerase ERp46. Acta Crystallogr.,Sect.F, 68, 2012
8F51	Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine 分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. 登録日 2022-11-11 公開日 2023-02-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62, 2023
6XBE	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F 分子名称: BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F 著者 Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. 登録日 2020-06-05 公開日 2021-03-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
6XCI	Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D 分子名称: ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... 著者 Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. 登録日 2020-06-08 公開日 2021-03-31 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
3UWI	Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-12-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
4FPB	Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate 分子名称: 1,5-anhydro-6-O-phosphono-D-glucitol, CITRIC ACID, Hexokinase-1, ... 著者 Shen, L, Honzatko, R.B. 登録日 2012-06-21 公開日 2013-07-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I to be published
8EPJ	Co-crystal structure of Chaetomium glucosidase with compound 17 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-10-05 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
6XG4	X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim 分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... 著者 Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. 登録日 2020-06-16 公開日 2021-03-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
4FQ8	Crystal Structure of Shikimate Dehydrogenase (aroE) Y210A Mutant from Helicobacter pylori in Complex with Shikimate 分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase 著者 Cheng, W.C, Chen, T.J, Wang, W.C. 登録日 2012-06-25 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献
6XNO	Crystal structure of E99A mutant of human CEACAM1 分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside 著者 Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S. 登録日 2020-07-03 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium. Commun Biol, 4, 2021
8EGV	Co-crystal structure of Chaetomium glucosidase with compound 12 分子名称: (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-09-13 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
3UXG	Crystal structure of RFXANK 分子名称: DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION 著者 Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2011-12-05 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock. Sci.Signal., 5, 2012
8EHP	Co-crystal structure of Chaetomium glucosidase with compound 13 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-09-14 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
8EID	Co-crystal structure of Chaetomium glucosidase with compound 14 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-09-14 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
4ZIM	CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR 分子名称: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2 著者 Sack, J.S. 登録日 2015-04-28 公開日 2015-06-03 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
3UN4	Yeast 20S proteasome in complex with PR-957 (morpholine) 分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ... 著者 Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. 登録日 2011-11-15 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
6XG5	X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim 分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... 著者 Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. 登録日 2020-06-16 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
8ELE	Co-crystal structure of Chaetomium glucosidase with compound 16 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-09-23 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
3UXL	P. putida mandelate racemase co-crystallized with the intermediate analogue cupferron 分子名称: 1-hydroxy-2-oxo-1-phenylhydrazine, MAGNESIUM ION, Mandelate racemase 著者 Lietzan, A.D, Pellmann, E, St Maurice, M. 登録日 2011-12-05 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron. Biochemistry, 51, 2012
4F9C	Human CDC7 kinase in complex with DBF4 and XL413 分子名称: 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ... 著者 Hughes, S, Cherepanov, P. 登録日 2012-05-18 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Crystal structure of human CDC7 kinase in complex with its activator DBF4. Nat.Struct.Mol.Biol., 19, 2012
4FR2	Alcohol dehydrogenase from Oenococcus oeni 分子名称: 1,3-propanediol dehydrogenase, NICKEL (II) ION 著者 Fodor, K, Skander, E, Wilmanns, M. 登録日 2012-06-26 公開日 2013-06-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural and biochemical characterisation of a NAD(+)-dependent alcohol dehydrogenase from Oenococcus oeni as a new model molecule for industrial biotechnology applications. Appl.Microbiol.Biotechnol., 97, 2013
3UPE	Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor 分子名称: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... 著者 Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. 登録日 2011-11-18 公開日 2012-11-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014

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