6MEV
| Structure of JMJD6 bound to Mono-Methyl Arginine. | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | Authors: | Lee, S, Zhang, G. | Deposit date: | 2018-09-07 | Release date: | 2019-09-18 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes. Elife, 9, 2020
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6M6I
| Structure of HSV2 B-capsid portal vertex | Descriptor: | Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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6M6H
| Structure of HSV2 C-capsid portal vertex | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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6M6G
| Structure of HSV2 viron capsid portal vertex | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ... | Authors: | Wang, X.X, Wang, N. | Deposit date: | 2020-03-14 | Release date: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (5.39 Å) | Cite: | Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation. Protein Cell, 11, 2020
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3NSS
| The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F. | Deposit date: | 2010-07-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site Nat.Struct.Mol.Biol., 17, 2010
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8HDV
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8HDU
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6LP6
| Crystal structure of human DHODH in complex with inhibitor 1214 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2020-01-09 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6IUP
| Crystal structure of FGFR4 kinase domain in complex with compound 5 | Descriptor: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6IUO
| Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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3PMT
| Crystal structure of the Tudor domain of human Tudor domain-containing protein 3 | Descriptor: | TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3 | Authors: | Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-18 | Release date: | 2010-12-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30. Plos One, 7, 2012
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6RNW
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6RNV
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6RFU
| In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors. Nat Commun, 11, 2020
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8JAN
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8JAJ
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6LZ7
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6SSG
| Transaminase with DCS bound | Descriptor: | ForI-DCS, SULFATE ION, [4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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6PXS
| Crystal structure of iminodiacetate oxidase (IdaA) from Chelativorans sp. BNC1 | Descriptor: | FAD dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Jun, S.Y, Lewis, K.M, Xun, L, Kang, C. | Deposit date: | 2019-07-26 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.836 Å) | Cite: | Structural and biochemical characterization of iminodiacetate oxidase from Chelativorans sp. BNC1. Mol.Microbiol., 112, 2019
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6SSF
| Transaminase with LCS bound | Descriptor: | ForI-LCS, SULFATE ION, [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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6SSD
| Transaminase with PLP bound | Descriptor: | ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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6OT0
| Structure of human Smoothened-Gi complex | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, Fab heavy chain, Fab light chain, ... | Authors: | Qi, X, Li, X. | Deposit date: | 2019-05-02 | Release date: | 2019-06-12 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of oxysterol-bound human Smoothened coupled to a heterotrimeric Gi. Nature, 571, 2019
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3NAN
| SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2010-06-02 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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6SSE
| Transaminase with PMP bound | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ForI-PMP, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
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3NAL
| SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2010-06-02 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
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