8DVO
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2022-07-29 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 To Be Published
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8EDZ
| The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319 | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | 著者 | Cuypers, M.G, Slavish, J.P, Jayaraman, S, Rankovic, Z, White, S.W. | 登録日 | 2022-09-06 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319 To Be Published
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6RS2
| Structure of the Bateman module of human CNNM4. | 分子名称: | Metal transporter CNNM4 | 著者 | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | 登録日 | 2019-05-21 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.694 Å) | 主引用文献 | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4. Int J Mol Sci, 20, 2019
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6RJF
| Echovirus 1 intact particle | 分子名称: | PALMITIC ACID, VP1, VP2, ... | 著者 | Domanska, A, Ruokolainen, V.P, Pelliccia, M, Laajala, M.A, Marjomaki, V.S, Butcher, S.J. | 登録日 | 2019-04-26 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation. J.Virol., 93, 2019
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8F9Y
| SAL1 from Arabidopsis thaliana | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase | 著者 | Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J. | 登録日 | 2022-11-24 | 公開日 | 2023-01-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase. Proc.Natl.Acad.Sci.USA, 113, 2016
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6DFR
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6DMJ
| A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6DL2
| BRD4 bromodomain 1 in complex with HYB157 | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-05-31 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J. Med. Chem., 61, 2018
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6E1A
| Menin bound to M-89 | 分子名称: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | 著者 | Stuckey, J.A. | 登録日 | 2018-07-09 | 公開日 | 2019-07-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6E20
| Crystal structure of the Dario rerio galectin-1-L2 | 分子名称: | Galectin, MAGNESIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | 著者 | Ghosh, A, Bianchet, M.A. | 登録日 | 2018-07-10 | 公開日 | 2019-03-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the zebrafish galectin-1-L2 and model of its interaction with the infectious hematopoietic necrosis virus (IHNV) envelope glycoprotein. Glycobiology, 29, 2019
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6EK6
| Crystal structure of KDM5B in complex with S49195a. | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | 著者 | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-25 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of KDM5B in complex with S49195a. To be published
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6EIN
| Crystal structure of KDM5B in complex with S49365a. | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Crystal structure of KDM5B in complex with S49365a. To Be Published
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6ES0
| Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | 分子名称: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | 著者 | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | 登録日 | 2017-10-19 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6EIY
| Crystal structure of KDM5B in complex with KDOPZ000034a. | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ000034a. to be published
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6EJ0
| Crystal structure of KDM5B in complex with KDOPZ000049a. | 分子名称: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ000049a. to be published
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6EIU
| Crystal structure of KDM5B in complex with KDOPZ29a | 分子名称: | 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ29a. to be published
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6EUT
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | 分子名称: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXM
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-11-08 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUZ
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | 分子名称: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXL
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | 著者 | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-11-08 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUU
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | 分子名称: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EV0
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXK
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ... | 著者 | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-11-08 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EJ1
| Crystal structure of KDM5B in complex with KDOPZ48a. | 分子名称: | 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | 登録日 | 2017-09-19 | 公開日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal structure of KDM5B in complex with KDOPZ48a. to be published
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2IRT
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