7Q3Y
 
 | | Structure of full-length, monomeric, soluble somatic angiotensin I-converting enzyme showing the N- and C-terminal ellipsoid domains | | 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, Angiotensin-converting enzyme, ... | | 著者 | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | 登録日 | 2021-10-29 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (4.34 Å) | | 主引用文献 | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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3KIP
 | | Crystal structure of type-II 3-dehydroquinase from C. albicans | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinase, type II, ... | | 著者 | Trapani, S, Schoehn, G, Navaza, J, Abergel, C. | | 登録日 | 2009-11-02 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Macromolecular crystal data phased by negative-stained electron-microscopy reconstructions.
Acta Crystallogr.,Sect.D, 66, 2010
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5PCZ
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 55) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5EUE
 | | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | | 分子名称: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | | 著者 | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | | 登録日 | 2015-11-18 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
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5PDF
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 71) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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3H24
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7Q4D
 | | Local refinement structure of the two interacting N-domains of full-length, dimeric, soluble somatic angiotensin I-converting enzyme | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | 登録日 | 2021-10-30 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | | 主引用文献 | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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2Y8C
 | | Plasmodium falciparum dUTPase in complex with a trityl ligand | | 分子名称: | (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | | 著者 | Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H. | | 登録日 | 2011-02-04 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase
Bioorg.Med.Chem., 19, 2011
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7Q4E
 | | Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | 登録日 | 2021-10-30 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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5OWR
 | | Human STK10 bound to dasatinib | | 分子名称: | CALCIUM ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Serine/threonine-protein kinase 10 | | 著者 | Szklarz, M, Muniz, J.R.C, Vollmar, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | 登録日 | 2017-09-04 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Human STK10 bound to dasatinib
To Be Published
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3H9R
 | | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | | 分子名称: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-30 | | 公開日 | 2009-06-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
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4PPB
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1IBY
 | | RED COPPER PROTEIN NITROSOCYANIN FROM NITROSOMONAS EUROPAEA | | 分子名称: | COPPER (II) ION, HEXANE-1,6-DIOL, NITROSOCYANIN | | 著者 | Lieberman, R.L, Arciero, D.M, Hooper, A.B, Rosenzweig, A.C. | | 登録日 | 2001-03-29 | | 公開日 | 2001-06-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of a novel red copper protein from Nitrosomonas europaea.
Biochemistry, 40, 2001
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5W26
 | | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | | 分子名称: | (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | | 登録日 | 2017-06-05 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
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4PS6
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5ORY
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | 分子名称: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | 著者 | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | 登録日 | 2017-08-16 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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3DJY
 | | Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Carletti, E, Nachon, F. | | 登録日 | 2008-06-24 | | 公開日 | 2008-12-02 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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1MMD
 | | TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-BEF3 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | 著者 | Fisher, A.J, Holden, H.M, Rayment, I. | | 登録日 | 1995-03-21 | | 公開日 | 1996-08-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Biochemistry, 34, 1995
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3KSK
 | | Crystal Structure of single chain PvuII | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... | | 著者 | Meramveliotaki, C, Hountas, A, Eliopoulos, E, Kokkinidis, M. | | 登録日 | 2009-11-23 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal Structure of single chain PvuII
To be Published
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5YFZ
 | | Plasmodium vivax SHMT bound with PLP-glycine and S-GS626 | | 分子名称: | 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | 登録日 | 2017-09-22 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
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3TKC
 | | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | | 分子名称: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | 著者 | Huet, T, Moras, D, Rochel, N. | | 登録日 | 2011-08-26 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
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7GUS
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 1.25 MGy X-ray dose. | | 分子名称: | 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | 登録日 | 2024-01-09 | | 公開日 | 2024-12-04 | | 最終更新日 | 2025-01-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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4ET0
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5OT0
 | | The thermostable L-asparaginase from Thermococcus kodakarensis | | 分子名称: | 1,2-ETHANEDIOL, L-asparaginase, PHOSPHATE ION, ... | | 著者 | Guo, J, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Chohan, S.M, Akhtar, M. | | 登録日 | 2017-08-18 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure and function of the thermostable L-asparaginase from Thermococcus kodakarensis.
Acta Crystallogr D Struct Biol, 73, 2017
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5PBQ
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 11) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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