4DPH
 
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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2QM2
 | | Putative HopJ type III effector protein from Vibrio parahaemolyticus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, POTASSIUM ION, ... | | Authors: | Kim, Y, Chang, C, Volkart, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-13 | | Release date: | 2007-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of Putative HopJ type III Effector Protein from Vibrio parahaemolyticus.
To be Published
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2R37
 | | Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant) | | Descriptor: | CHLORIDE ION, Glutathione peroxidase 3, SODIUM ION | | Authors: | Pilka, E.S, Guo, K, Gileadi, O, Rojkowa, A, von Delft, F, Pike, A.C.W, Kavanagh, K.L, Johannson, C, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-29 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of human glutathione peroxidase 3 (selenocysteine to glycine mutant).
TO BE PUBLISHED
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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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7XD7
 | | The pre-Tet-C state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The pre-Tet-C state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon | | 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: | 2022-03-26 | | Release date: | 2023-03-29 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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7XD3
 | | The relaxed pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon | | Descriptor: | MAGNESIUM ION, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon | | 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: | 2022-03-26 | | Release date: | 2023-03-29 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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7XD4
 | | The intermediate pre-Tet-S1 state of wild-type Tetrahymena group I intron with 6nt 3'/5'-exon | | Descriptor: | Co-transcriptional folded wild-type Tetrahymena group I intron with 6nt 3'/5'-exon, MAGNESIUM ION | | 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: | 2022-03-26 | | Release date: | 2023-03-29 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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7XD5
 | | The Tet-S2 state of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The Tet-S2 state molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ... | | 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: | 2022-03-26 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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7XD6
 | | The Tet-S2 state with a pseudoknotted 4-way junction of wild-type Tetrahymena group I intron with 30nt 3'/5'-exon | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The Tet-S2 state with a pseudoknotted 4-way junction molecule of co-transcriptional folded wild-type Tetrahymena group I intron with 30nt 3'/5'-exon (5'-exon), ... | | 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: | 2022-03-26 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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2FUC
 | | Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound | | Descriptor: | MAGNESIUM ION, Phosphomannomutase 1 | | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2006-01-26 | | Release date: | 2006-03-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
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2FUE
 | | Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound | | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1 | | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2006-01-26 | | Release date: | 2006-03-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
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6TYL
 | | Crystal structure of mammalian Ric-8A:Galpha(i):nanobody complex | | Descriptor: | Guanine nucleotide-binding protein G(i) subunit alpha-1, Nanobody A, Nanobody B, ... | | Authors: | Mou, T.C, McClelland, L, Yates-Hansen, C, Sprang, S.R. | | Deposit date: | 2019-08-09 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the G protein chaperone and guanine nucleotide exchange factor Ric-8A bound to G alpha i1.
Nat Commun, 11, 2020
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3TB4
 | | Crystal structure of the ISC domain of VibB | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
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8JFC
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 6 (B21591), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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8JFB
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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8JFD
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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4UY4
 | | 1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide | | Descriptor: | GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4 | | Authors: | Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | 1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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4IAQ
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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6U6A
 | | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | | Descriptor: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
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7V6F
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | | Deposit date: | 2021-08-20 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
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2XX1
 | | STRUCTURE OF THE N90S MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION, ... | | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | | Deposit date: | 2010-11-07 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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3WLB
 | | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
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3WL9
 | | HLA-A24 in complex with HIV-1 Nef126-10(8I10F) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
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2XWZ
 | | STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | | Descriptor: | ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | | Deposit date: | 2010-11-06 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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