3SDJ
 
 | | Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1 | | Descriptor: | N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. | | Deposit date: | 2011-06-09 | | Release date: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structural and functional basis for RNA cleavage by Ire1.
Bmc Biol., 9, 2011
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6KO0
 | | The crystal structue of PDE10A complexed with 1i | | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | | Deposit date: | 2019-08-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.600029 Å) | | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
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6KO1
 | | The crystal structue of PDE10A complexed with 2d | | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | | Deposit date: | 2019-08-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
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6KOL
 | | Crystal structure of auracyanin from photosynthetic bacterium Roseiflexus castenholzii | | Descriptor: | Blue (Type 1) copper domain protein, CHLORIDE ION, COPPER (II) ION | | Authors: | Wang, C, Zhang, C.Y, Min, Z.Z, Xin, Y.Y, Xu, X.L. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
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5XK5
 | | Relaxed state of S65-phosphorylated ubiquitin | | Descriptor: | Polyubiquitin-B | | Authors: | Xu, D, Zhou, G, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XK4
 | | Retracted state of S65-phosphorylated ubiquitin | | Descriptor: | Polyubiquitin-B | | Authors: | Dong, X, Gong, Z, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6L9S
 | | Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii | | Descriptor: | Blue (Type 1) copper domain protein, COPPER (I) ION | | Authors: | Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L. | | Deposit date: | 2019-11-10 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
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4QKX
 | | Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody | | Descriptor: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ... | | Authors: | Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2014-06-10 | | Release date: | 2014-07-23 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6ODB
 | | Crystal structure of HDAC8 in complex with compound 3 | | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6ODC
 | | Crystal structure of HDAC8 in complex with compound 30 | | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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2O63
 | | Crystal structure of Pim1 with Myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2O64
 | | Crystal structure of Pim1 with Quercetagetin | | Descriptor: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2O3P
 | | Crystal structure of Pim1 with Quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-01 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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2O65
 | | Crystal structure of Pim1 with Pentahydroxyflavone | | Descriptor: | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | | Deposit date: | 2006-12-06 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase.
Mol.Cancer Ther., 6, 2007
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4IH9
 | | Crystal structure of rice DWARF14 (D14) | | Descriptor: | Dwarf 88 esterase | | Authors: | Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E. | | Deposit date: | 2012-12-18 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
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8I7N
 | | The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Descriptor: | (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, MAGNESIUM ION, SPERMIDINE, ... | | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | Deposit date: | 2023-02-01 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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8HD7
 | | The intermediate pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The intermediate pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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8HD6
 | | The relaxed pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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4IHA
 | | Crystal structure of rice DWARF14 (D14) in complex with a GR24 hydrolysis intermediate | | Descriptor: | (2R,3R)-2,4,4-trihydroxy-3-methylbutanal, Dwarf 88 esterase | | Authors: | Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E. | | Deposit date: | 2012-12-18 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
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3PFT
 | | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin reductase | | Authors: | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure
To be Published
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4LAF
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6ME0
 | | Structure of a group II intron retroelement prior to DNA integration | | Descriptor: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | | Authors: | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | | Deposit date: | 2018-09-05 | | Release date: | 2019-08-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
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3R5T
 | | Crystal structure of holo-ViuP | | Descriptor: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L. | | Deposit date: | 2011-03-19 | | Release date: | 2012-02-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response.
J.Biol.Chem., 287, 2012
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7DTY
 | | Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-08-04 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
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