7HGO
 
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z431807512 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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7HGR
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z104924088 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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2AJL
 | | X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor | | 分子名称: | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | | 著者 | Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. | | 登録日 | 2005-08-02 | | 公開日 | 2005-11-08 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | 分子名称: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | 著者 | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2015-12-16 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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7HG7
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z46169164 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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7HGL
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z137790394 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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7LI5
 | | Crystal Structure Analysis of human TEAD1 | | 分子名称: | 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one, SULFATE ION, Transcriptional enhancer factor TEF-1 | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2021-01-26 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Crystal Structure Analysis of human TEAD1
To Be Published
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7HHK
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1247413608 | | 分子名称: | 1,2-ETHANEDIOL, 1-(methanesulfonyl)piperidin-4-ol, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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4INZ
 | | The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase | | 著者 | Kong, X.D, Zhou, J.H, Xu, J.H. | | 登録日 | 2013-01-07 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WUG
 | | Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPDA | | 分子名称: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ... | | 著者 | Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R.L, Sim, E, Eltis, L.D. | | 登録日 | 2009-10-02 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Characterization of a C-C Hydrolase from Mycobacterium Tuberuclosis Involved in Cholesterol Metabolism.
J.Biol.Chem., 285, 2010
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5CHJ
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23) | | 分子名称: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, ACETATE ION, Beta-lactamase, ... | | 著者 | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | 登録日 | 2015-07-10 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.358 Å) | | 主引用文献 | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
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6DR0
 | | Class 5 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | | 著者 | Hite, R.K, Paknejad, N. | | 登録日 | 2018-06-11 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (4.47 Å) | | 主引用文献 | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
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5QHV
 | | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000299a | | 分子名称: | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | 登録日 | 2018-05-21 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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8I8Q
 | | Crystal structure of horse spleen L-ferritin H114A mutant at -180deg Celsius. | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Maity, B, Tian, J, Abe, S, Ueno, T. | | 登録日 | 2023-02-05 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Atomic-level insights into a unique semi-clathrate hydrate formed in a confined environment of porous protein crystal.
Cryst.Growth Des., 2023
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6DRC
 | | High IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor | | 分子名称: | CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ... | | 著者 | Hite, R.K, Paknejad, N. | | 登録日 | 2018-06-11 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
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7HH6
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z54633859 | | 分子名称: | 1,2-ETHANEDIOL, 2-[methyl(pyridin-2-yl)amino]ethan-1-ol, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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4F3N
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7HH2
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1238477757 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-dimethylpiperazine-1-carboxamide, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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5TE0
 | | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120 | | 分子名称: | AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-20 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
To Be Published
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7HGF
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1262433643 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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7HHA
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z53825020 | | 分子名称: | 1,2-ETHANEDIOL, 1-(ethanesulfonyl)piperidine-4-carboxylic acid, Hepatoma-derived growth factor-related protein 2, ... | | 著者 | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | 登録日 | 2024-08-29 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
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7HMI
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1742054999 | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5COI
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | 分子名称: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | 登録日 | 2015-07-20 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.62 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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7HO3
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z405825414 | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HLB
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z45705015 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM21, ... | | 著者 | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | 登録日 | 2024-11-04 | | 公開日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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