7HSF
 
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1503180352 | | 分子名称: | 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | | 著者 | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | 登録日 | 2024-12-23 | | 公開日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5ERP
 | | Crystal structure of human Desmocollin-2 ectodomain fragment EC2-5 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Harrison, O.J, Brasch, J, Shapiro, L. | | 登録日 | 2015-11-14 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of adhesive binding by desmocollins and desmogleins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5QHP
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000554a | | 分子名称: | 1,2-ETHANEDIOL, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, Protein FAM83B | | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5DF8
 | | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH CEFOPERAZONE | | 分子名称: | (2R,4R,5R)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | | 著者 | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | | 登録日 | 2015-08-26 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
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1ZZ2
 | | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | | 分子名称: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | | 著者 | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | | 登録日 | 2005-06-13 | | 公開日 | 2005-10-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | 分子名称: | 3C protease, ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | 登録日 | 2020-12-09 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
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3ILR
 | | Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with tetrasaccharide product | | 分子名称: | 1,2-ETHANEDIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(4-1)-4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid, 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | 著者 | Garron, M.L, Cygler, M, Shaya, D. | | 登録日 | 2009-08-07 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
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5D0V
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5QHO
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a | | 分子名称: | 1,2-ETHANEDIOL, Protein FAM83B, di(piperidin-1-yl)methanone | | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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1LKT
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5QIX
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103007 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-phenylprop-2-yn-1-yl)acetamide, UNKNOWN LIGAND, ... | | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | | 登録日 | 2018-08-10 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Covalent fragment group deposition
To Be Published
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7E36
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3IPS
 | | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | | 分子名称: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | | 著者 | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | 登録日 | 2009-08-18 | | 公開日 | 2010-06-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
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1N5U
 | | X-RAY STUDY OF HUMAN SERUM ALBUMIN COMPLEXED WITH HEME | | 分子名称: | MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SERUM ALBUMIN | | 著者 | Wardell, M, Wang, Z, Ho, J.X, Robert, J, Ruker, F, Ruble, J, Carter, D.C. | | 登録日 | 2002-11-07 | | 公開日 | 2003-06-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Atomic Structure of Human Methemalbumin at 1.9 A
Biochem.Biophys.Res.Commun., 291, 2002
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5U94
 | | Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693. | | 分子名称: | 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Wlodarchak, N, Satyshur, K, Striker, R. | | 登録日 | 2016-12-15 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth.
Mol. Pharm., 15, 2018
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2PUL
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4LDQ
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1VHH
 | | A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC HEDGEHOG | | 分子名称: | SONIC HEDGEHOG, SULFATE ION, ZINC ION | | 著者 | Hall, T.M.T, Porter, J.A, Beachy, P.A, Leahy, D.J. | | 登録日 | 1995-10-03 | | 公開日 | 1996-01-29 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A potential catalytic site revealed by the 1.7-A crystal structure of the amino-terminal signalling domain of Sonic hedgehog.
Nature, 378, 1995
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6I77
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | 登録日 | 2018-11-15 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.219 Å) | | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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5CZ9
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1QKE
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1NJU
 | | Complex structure of HCMV Protease and a peptidomimetic inhibitor | | 分子名称: | Assemblin, N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide | | 著者 | Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L. | | 登録日 | 2003-01-02 | | 公開日 | 2003-02-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease
Biochemistry, 42, 2003
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6SU8
 | | Highly thermostable endoglucanase Cel7B | | 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, Glucanase, ... | | 著者 | Schiano-di-Cola, C, Morth, J.P, Westh, P, Borch, K. | | 登録日 | 2019-09-13 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structural and biochemical characterization of a family 7 highly thermostable endoglucanase from the fungus Rasamsonia emersonii.
Febs J., 287, 2020
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4HDR
 | | Crystal Structure of ArsAB in Complex with 5,6-dimethylbenzimidazole | | 分子名称: | 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, ArsA, ... | | 著者 | Newmister, S.A, Chan, C.H, Escalante-Semerena, J.C, Rayment, I. | | 登録日 | 2012-10-02 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural Insights into the Function of the Nicotinate Mononucleotide:phenol/p-cresol Phosphoribosyltransferase (ArsAB) Enzyme from Sporomusa ovata.
Biochemistry, 51, 2012
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3PEB
 | | The Structure of a Creatine_N Superfamily domain of a dipeptidase from Streptococcus thermophilus. | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Dipeptidase, ... | | 著者 | Cuff, M.E, Mack, J.C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-10-25 | | 公開日 | 2010-11-03 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | The Structure of a Creatine_N Superfamily domain of a dipeptidase from Streptococcus thermophilus.
TO BE PUBLISHED
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