5U2M
 
 | | Crystal structure of human NAMPT with A-1293201 | | 分子名称: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | | 登録日 | 2016-11-30 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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7LJE
 | | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | | 分子名称: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300 | | 著者 | Jakob, C.G. | | 登録日 | 2021-01-29 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.607 Å) | | 主引用文献 | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
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5U2N
 | | Crystal structure of human NAMPT with A-1326133 | | 分子名称: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | | 登録日 | 2016-11-30 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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7LT6
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7LSW
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6RAX
 | | D. melanogaster CMG-DNA, State 1B | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | 著者 | Eickhoff, P, Martino, F, Costa, A. | | 登録日 | 2019-04-08 | | 公開日 | 2019-09-11 | | 最終更新日 | 2019-09-18 | | 実験手法 | ELECTRON MICROSCOPY (3.99 Å) | | 主引用文献 | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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6RAW
 | | D. melanogaster CMG-DNA, State 1A | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | 著者 | Eickhoff, P, Martino, F, Costa, A. | | 登録日 | 2019-04-08 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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5UPF
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7NA3
 | | HDM2 in complex with compound 62 | | 分子名称: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA4
 | | HDM2 in complex with compound 63 | | 分子名称: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA2
 | | HDM2 in complex with compound 56 | | 分子名称: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA1
 | | HDM2 in complex with compound 2 | | 分子名称: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ... | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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5UPE
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5U6D
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5KJ2
 | | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | | 分子名称: | Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION | | 著者 | Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C. | | 登録日 | 2016-06-17 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
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5U8F
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.343 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U69
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U8A
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | 分子名称: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | 著者 | Jakob, C.G, Zhu, H. | | 登録日 | 2016-12-14 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5CPR
 | | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | | 分子名称: | 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ... | | 著者 | Jakob, C.G, Upadhyay, A.K, Sun, C. | | 登録日 | 2015-07-21 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
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5IUL
 | | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | | 登録日 | 2016-03-18 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.153 Å) | | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
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5IUJ
 | | Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM) | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | | 登録日 | 2016-03-18 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
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5IUK
 | | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | | 登録日 | 2016-03-18 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
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5HFK
 | | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE | | 分子名称: | Disulfide-bond oxidoreductase YfcG, GLUTATHIONE | | 著者 | Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2016-01-07 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.551 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
TO BE PUBLISHED
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5KCI
 | | Crystal Structure of HTC1 | | 分子名称: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | | 著者 | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | | 登録日 | 2016-06-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
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3JTY
 | | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | | 分子名称: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | | 著者 | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-09-14 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
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