6ZGY
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZFH
| Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.439 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGW
| Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | Descriptor: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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3C0F
| Crystal Structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source | Descriptor: | Uncharacterized protein AF_1514 | Authors: | Li, Y, Bahti, P, Shaw, N, Song, G, Yin, J, Zhu, J.-Y, Zhang, H, Xu, H, Wang, B.-C, Liu, Z.-J. | Deposit date: | 2008-01-20 | Release date: | 2008-02-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source. Proteins, 71, 2008
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4NZW
| Crystal Structure of STK25-MO25 Complex | Descriptor: | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25 | Authors: | Feng, M, Hao, Q, Zhou, Z.C. | Deposit date: | 2013-12-13 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.583 Å) | Cite: | Structural insights into regulatory mechanisms of MO25-mediated kinase activation. J.Struct.Biol., 186, 2014
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6ZGV
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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4O27
| Crystal structure of MST3-MO25 complex with WIF motif | Descriptor: | 5-mer peptide from serine/threonine-protein kinase 24, ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, ... | Authors: | Hao, Q, Feng, M, Zhou, Z.C. | Deposit date: | 2013-12-16 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.185 Å) | Cite: | Structural insights into regulatory mechanisms of MO25-mediated kinase activation. J.Struct.Biol., 186, 2014
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4IXH
| Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum | Descriptor: | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide, 1,2-ETHANEDIOL, INOSINIC ACID, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-01-25 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase. J.Med.Chem., 56, 2013
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4RIL
| Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction | Descriptor: | Alpha-synuclein | Authors: | Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S. | Deposit date: | 2014-10-06 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | ELECTRON CRYSTALLOGRAPHY (1.43 Å) | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals. Nature, 525, 2015
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8DD5
| Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363 To Be Published
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4NCR
| Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169 | Descriptor: | 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2013-10-25 | Release date: | 2014-02-19 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Towards a new combination therapy for tuberculosis with next generation benzothiazinones. EMBO Mol Med, 6, 2014
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4RIK
| Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77 | Descriptor: | Alpha-synuclein | Authors: | Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S. | Deposit date: | 2014-10-06 | Release date: | 2015-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals. Nature, 525, 2015
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4Y7J
| Structure of an archaeal mechanosensitive channel in expanded state | Descriptor: | Large conductance mechanosensitive channel protein,Riboflavin synthase, nonyl beta-D-glucopyranoside | Authors: | Li, J, Liu, Z. | Deposit date: | 2015-02-15 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion Proc.Natl.Acad.Sci.USA, 112, 2015
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5U5K
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4Y7K
| Structure of an archaeal mechanosensitive channel in closed state | Descriptor: | Large conductance mechanosensitive channel protein,Riboflavin synthase | Authors: | Li, J, Liu, Z. | Deposit date: | 2015-02-15 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZRI
| Crystal structure of Merlin-FERM and Lats2 | Descriptor: | Merlin, Serine/threonine-protein kinase LATS2 | Authors: | Li, F, Zhou, H, Long, J, Shen, Y. | Deposit date: | 2015-05-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway Cell Res., 25, 2015
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5U62
| Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | Descriptor: | (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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5U5T
| Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide | Descriptor: | (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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4ZRJ
| Structure of Merlin-FERM and CTD | Descriptor: | GLYCEROL, Merlin | Authors: | Lin, Z, Li, F, Long, J, Shen, Y. | Deposit date: | 2015-05-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway Cell Res., 25, 2015
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4ZHJ
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5U5H
| Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | Descriptor: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-06 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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3VU6
| Short peptide HIV entry inhibitor MT-SC22EK with a M-T hook | Descriptor: | MTSC22, SULFATE ION, Transmembrane protein gp41 | Authors: | Yao, X, Chong, H.H, Waltersperger, S, Wang, M.T, He, Y.X, Cui, S. | Deposit date: | 2012-06-19 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.324 Å) | Cite: | Short-peptide fusion inhibitors with high potency against wild-type and enfuvirtide-resistant HIV-1 Faseb J., 27, 2013
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6MAJ
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.139 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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6MAK
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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6CPU
| Crystal structure of yeast caPDE2 | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Ke, H, Wang, y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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