5JFX
 
 | | Crystal structure of TrkA in complex with PF-06273340 | | 分子名称: | High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | | 著者 | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | | 登録日 | 2016-04-19 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
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2AIO
 | | Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | | 分子名称: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J. | | 登録日 | 2005-07-30 | | 公開日 | 2005-10-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
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4PE0
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4434 | | 分子名称: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B | | 著者 | Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | 登録日 | 2014-04-22 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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6R4T
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6FJ4
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6L70
 | | Complex structure of PEDV 3CLpro with GC376 | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, PEDV main protease | | 著者 | Ye, G, Peng, G.Q. | | 登録日 | 2019-10-30 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural Basis for Inhibiting Porcine Epidemic Diarrhea Virus Replication with the 3C-Like Protease Inhibitor GC376.
Viruses, 12, 2020
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7FQY
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000278a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine | | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | 登録日 | 2022-10-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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5DDA
 | | Menin in complex with MI-333 | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | 登録日 | 2015-08-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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7FQP
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000505a | | 分子名称: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | 登録日 | 2022-10-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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5DF9
 | | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 IN COMPLEX WITH DEACYLATED PRODUCT OF CEFOPERAZONE | | 分子名称: | (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Cell division protein, GLYCEROL, ... | | 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 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 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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6LE5
 | | Crystal structure of the mitochondrial calcium uptake 1 and 2 heterodimer (MICU1-MICU2 heterodimer) in an apo state | | 分子名称: | Calcium uptake protein 1, mitochondrial, Calcium uptake protein 2 | | 著者 | Park, J, Lee, Y, Park, T, Kang, J.Y, Jin, M, Yang, J, Eom, S.H. | | 登録日 | 2019-11-24 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of the MICU1-MICU2 heterodimer provides insights into the gatekeeping threshold shift.
Iucrj, 7, 2020
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156L
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5X0R
 | | Crystal Structure of PXR LBD Complexed with SJB7 | | 分子名称: | 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Lv, L, Lin, W, Chai, S.C, Zhang, Q, Chen, T. | | 登録日 | 2017-01-23 | | 公開日 | 2017-10-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.665 Å) | | 主引用文献 | SPA70 is a potent antagonist of human pregnane X receptor.
Nat Commun, 8, 2017
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176L
 | | PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME | | 分子名称: | CHLORIDE ION, T4 LYSOZYME | | 著者 | Zhang, X.-J, Weaver, L, Dubose, R, Matthews, B.W. | | 登録日 | 1995-03-24 | | 公開日 | 1995-07-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
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6LG5
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5W92
 | | Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30049 | | 分子名称: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | | 著者 | Kumar, G, White, S. | | 登録日 | 2017-06-22 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6F04
 | | N-acetylglucosamine-2-epimerase | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, N-acetylglucosamine-2-epimerase | | 著者 | Halsoer, M.J, Rothweiler, U. | | 登録日 | 2017-11-17 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | The crystal structure of the N-acetylglucosamine 2-epimerase from Nostoc sp. KVJ10 reveals the true dimer.
Acta Crystallogr D Struct Biol, 75, 2019
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5DGS
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4BY5
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7FSR
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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5CRZ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | 登録日 | 2015-07-23 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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7FSU
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784 | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FSP
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1650168321 | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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7FSY
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1148165337 | | 分子名称: | 1,2-ETHANEDIOL, 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, ALANINE, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | SDCBP PanDDA analysis group deposition
To Be Published
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6LI5
 | | Crystal structure of apo-MCR-1-S | | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1 | | 著者 | Zhang, Q, Wang, M, Sun, H. | | 登録日 | 2019-12-10 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
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