7G9D
 
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001 | | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.659 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G9G
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001 | | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.079 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G9H
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 | | 分子名称: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.746 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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3ZON
 | | Human TYK2 pseudokinase domain bound to a kinase inhibitor | | 分子名称: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2 | | 著者 | Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | 登録日 | 2013-02-22 | | 公開日 | 2013-04-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
To be Published
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3SX0
 | | Crystal structure of Dot1l in complex with a brominated SAH analog | | 分子名称: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | 著者 | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-07-14 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
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4UYI
 | | Crystal structure of the BTB domain of human SLX4 (BTBD12) | | 分子名称: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | | 著者 | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2014-09-01 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
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5FFY
 | | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | | 分子名称: | 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin | | 著者 | Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | 登録日 | 2015-12-19 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
To Be Published
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5FG4
 | | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe | | 分子名称: | 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin | | 著者 | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | 登録日 | 2015-12-20 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
To Be Published
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3DKM
 | | Crystal structure of the HECTD1 CPH domain | | 分子名称: | E3 ubiquitin-protein ligase HECTD1 | | 著者 | Walker, J.R, Qiu, L, Li, Y, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-06-25 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of the CPH domain of the E3 ubiquitin-protein ligase HECTD1.
To be Published
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6MEW
 | | RFXANK ankyrin repeats in complex with a RFX7 peptide | | 分子名称: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-07 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
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3EO2
 | | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein | | 分子名称: | Neuroepithelial cell-transforming gene 1 protein, UNKNOWN ATOM OR ION | | 著者 | Nedyalkova, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-09-26 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein
To be Published
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7HI8
 | | PanDDA analysis group deposition -- Crystal Structure of ground state model of human Brachyury | | 分子名称: | CADMIUM ION, T-box transcription factor T | | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2024-09-20 | | 公開日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7HI9
 | | PanDDA analysis group deposition of ground-state model of human Brachyury G177D variant | | 分子名称: | SODIUM ION, T-box transcription factor T | | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2024-09-20 | | 公開日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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8DDA
 | | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain | | 分子名称: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, SULFATE ION | | 著者 | Muniz, J.R.C, Kopec, J, Rembeza, E, Burgess-Brown, N, Bountra, C, Yue, W.W. | | 登録日 | 2022-06-17 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
To Be Published
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3F2U
 | | Crystal structure of human chromobox homolog 1 (CBX1) | | 分子名称: | Chromobox protein homolog 1 | | 著者 | Amaya, M.F, Ravichandran, M, Tempel, W, Wernimont, A.K, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Botchkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-10-30 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the complex of human chromobox homolog 1 (CBX1)
To be Published
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6NEZ
 | | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 | | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | | 著者 | Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-18 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
to be published
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3CPS
 | | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase | | 分子名称: | Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | | 登録日 | 2008-04-01 | | 公開日 | 2008-04-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase.
To be Published
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3DXN
 | | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. | | 分子名称: | Calmodulin-like domain protein kinase isoform 3 | | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | 登録日 | 2008-07-24 | | 公開日 | 2008-09-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
To be Published
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3FKC
 | | Crystal Structure of Human Zinc finger and BTB domain containing 33 | | 分子名称: | Transcriptional regulator Kaiso | | 著者 | Filippakopoulos, P, Bullock, A, Keates, T, Burgess-Brown, N, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-12-16 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of Human Zinc finger and BTB domain containing 33
To be Published
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5F5C
 | | Crystal Structure of human JMJD2D complexed with KDOPP7 | | 分子名称: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-04 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5EZR
 | | Crystal Structure of PVX_084705 bound to compound | | 分子名称: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | | 著者 | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-26 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of PVX_084705 bound to compound
To Be Published
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3CZH
 | | Crystal structure of CYP2R1 in complex with vitamin D2 | | 分子名称: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | 著者 | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-04-29 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
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5F5A
 | | Crystal Structure of human JMJD2D complexed with KDOAM16 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-04 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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3CLV
 | | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c | | 分子名称: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ... | | 著者 | Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | | 登録日 | 2008-03-20 | | 公開日 | 2008-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
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6ZGC
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | | 分子名称: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | | 著者 | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2020-06-18 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva.
JCI Insight, 6, 2021
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