5TC2
 
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5T67
 | | x-ray structure of the KijD1 C3-methyltransferase from Actinomadura kijaniata in complex with SAH and dTDP-sugar product | | 分子名称: | (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Holden, H.M, Thoden, J.B, Dow, G.T. | | 登録日 | 2016-09-01 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural studies on KijD1, a sugar C-3'-methyltransferase.
Protein Sci., 25, 2016
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2UZD
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | 分子名称: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2007-04-27 | | 公開日 | 2007-06-26 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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5T74
 | | Human carboanhydrase F131C_C206S double mutant in complex with 14 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | | 著者 | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | | 登録日 | 2016-09-02 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
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1NFU
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1NFY
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4H3G
 | | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | | 分子名称: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Mandal, M. | | 登録日 | 2012-09-13 | | 公開日 | 2012-11-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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5QHF
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000301a | | 分子名称: | 2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2018-05-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.67 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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1NC3
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with formycin A (FMA) | | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase | | 著者 | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | 登録日 | 2002-12-04 | | 公開日 | 2003-03-25 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
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2UZ8
 | | The crystal structure of p18, human translation elongation factor 1 epsilon 1 | | 分子名称: | EUKARYOTIC TRANSLATION ELONGATION FACTOR 1 EPSILON-1, GLYCEROL | | 著者 | Kang, B.S, Kim, K.J, Kim, M.H, Oh, Y.S, Kim, S. | | 登録日 | 2007-04-26 | | 公開日 | 2008-03-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Determination of Three-Dimensional Structure and Residues of the Novel Tumor Suppressor Aimp3/P18 Required for the Interaction with Atm.
J.Biol.Chem., 283, 2008
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7BEL
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ... | | 著者 | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | 登録日 | 2020-12-23 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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2P3G
 | | Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 | | 分子名称: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2 | | 著者 | Kurumbail, R.G, Caspers, N. | | 登録日 | 2007-03-08 | | 公開日 | 2007-06-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007
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235L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | 著者 | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | 登録日 | 1997-10-17 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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5TB9
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8IP2
 | | Escherichia coli OpgG mutant-D361N with beta-1,2-glucan | | 分子名称: | Glucans biosynthesis protein G, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose | | 著者 | Motouchi, S, Nakajima, M. | | 登録日 | 2023-03-13 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
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242L
 | | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | | 著者 | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | | 登録日 | 1997-10-23 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
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7DB3
 | | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP011-bound form | | 分子名称: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | 著者 | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | | 登録日 | 2020-10-18 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
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2XR6
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | | 分子名称: | 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ... | | 著者 | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | 登録日 | 2010-09-10 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
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4EZJ
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2XKX
 | | Single particle analysis of PSD-95 in negative stain | | 分子名称: | DISKS LARGE HOMOLOG 4 | | 著者 | Fomina, S, Howard, T.D, Sleator, O.K, Golovanova, M, O'Ryan, L, Leyland, M.L, Grossmann, J.G, Collins, R.F, Prince, S.M. | | 登録日 | 2010-07-15 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (22.9 Å), SOLUTION SCATTERING | | 主引用文献 | Self-Directed Assembly and Clustering of the Cytoplasmic Domains of Inwardly Rectifying Kir2.1 Potassium Channels on Association with Psd-95
Biochim.Biophys.Acta, 1808, 2011
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5TFX
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4NRA
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322 | | 分子名称: | 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Chaikuad, A, Felletar, I, Ferguson, F.M, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-11-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | 分子名称: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-08 | | 公開日 | 2003-05-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
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1LR4
 | | Room Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays | | 分子名称: | BENZAMIDINE, Protein kinase CK2 | | 著者 | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | | 登録日 | 2002-05-14 | | 公開日 | 2002-05-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
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2OU9
 | | Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A | | 分子名称: | Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | 著者 | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | 登録日 | 2007-02-09 | | 公開日 | 2007-06-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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