5HPH
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![BU of 5hph by Molmil](/molmil-images/mine/5hph) | Structure of TRAP1 fragment | Descriptor: | GLYCEROL, Heat shock protein 75 kDa, mitochondrial, ... | Authors: | Sung, N, Chang, C, Lee, S, Tsai, F.T.F. | Deposit date: | 2016-01-20 | Release date: | 2016-08-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.429 Å) | Cite: | 2.4 angstrom resolution crystal structure of human TRAP1NM, the Hsp90 paralog in the mitochondrial matrix. Acta Crystallogr D Struct Biol, 72, 2016
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2WZ9
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![BU of 2wz9 by Molmil](/molmil-images/mine/2wz9) | Crystal structure of the thioredoxin domain of human TXNL2 | Descriptor: | GLUTAREDOXIN-3 | Authors: | Vollmar, M, Johannson, C, Cocking, R, Pike, A.C.W, Muniz, J.R.C, Edwards, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Kavanagh, K.L. | Deposit date: | 2009-11-25 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of the Thioredoxin Domain of Human Txnl2 To be Published
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3G2F
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![BU of 3g2f by Molmil](/molmil-images/mine/3g2f) | Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | Authors: | Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-31 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension. Sci Rep, 9, 2019
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7X8J
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![BU of 7x8j by Molmil](/molmil-images/mine/7x8j) | |
7X8K
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![BU of 7x8k by Molmil](/molmil-images/mine/7x8k) | Arabidopsis GDP-D-mannose pyrophosphorylase (VTC1) structure (product-bound) | Descriptor: | CITRATE ANION, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Mannose-1-phosphate guanylyltransferase 1, ... | Authors: | Zhao, S, Zhang, C, Liu, L. | Deposit date: | 2022-03-13 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Arabidopsis thaliana GDP-D-Mannose Pyrophosphorylase VITAMIN C DEFECTIVE 1. Front Plant Sci, 13, 2022
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1Q6T
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![BU of 1q6t by Molmil](/molmil-images/mine/1q6t) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | Authors: | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | Deposit date: | 2003-08-13 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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1Q6N
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![BU of 1q6n by Molmil](/molmil-images/mine/1q6n) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 4 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | Authors: | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | Deposit date: | 2003-08-13 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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1Q6S
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![BU of 1q6s by Molmil](/molmil-images/mine/1q6s) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 9 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID, CHLORIDE ION, ... | Authors: | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | Deposit date: | 2003-08-13 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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3Q7J
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![BU of 3q7j by Molmil](/molmil-images/mine/3q7j) | Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development | Descriptor: | L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide, Tricorn protease-interacting factor F3, ZINC ION | Authors: | Su, J, Wang, Q, Feng, J, Zhang, C, Zhu, D, We, T, Xu, W, Gu, L. | Deposit date: | 2011-01-05 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Engineered Thermoplasma acidophilum factor F3 mimics human aminopeptidase N (APN) as a target for anticancer drug development Bioorg.Med.Chem., 19, 2011
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4GJT
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![BU of 4gjt by Molmil](/molmil-images/mine/4gjt) | complex structure of nectin-4 bound to MV-H | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Poliovirus receptor-related protein 4 | Authors: | Zhang, X, Lu, G, Qi, J, Li, Y, He, Y, Xu, X, Shi, J, Zhang, C, Yan, J, Gao, G.F. | Deposit date: | 2012-08-10 | Release date: | 2012-10-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1001 Å) | Cite: | Structure of measles virus hemagglutinin bound to its epithelial receptor nectin-4 Nat.Struct.Mol.Biol., 20, 2013
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3R5T
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![BU of 3r5t by Molmil](/molmil-images/mine/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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3TG2
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![BU of 3tg2 by Molmil](/molmil-images/mine/3tg2) | Crystal structure of the ISC domain of VibB in complex with isochorismate | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-17 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.101 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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4FSD
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![BU of 4fsd by Molmil](/molmil-images/mine/4fsd) | ArsM arsenic(III) S-adenosylmethionine methyltransferase with As(III) | Descriptor: | ARSENIC, Arsenic methyltransferase, CALCIUM ION, ... | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | Deposit date: | 2012-06-27 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation. Biochemistry, 51, 2012
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2J2U
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![BU of 2j2u by Molmil](/molmil-images/mine/2j2u) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE, COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | Deposit date: | 2006-08-17 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2JH5
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![BU of 2jh5 by Molmil](/molmil-images/mine/2jh5) | Human Thrombin Hirugen Inhibitor complex | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | Authors: | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | Deposit date: | 2007-02-20 | Release date: | 2007-05-08 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JH0
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![BU of 2jh0 by Molmil](/molmil-images/mine/2jh0) | Human Thrombin Hirugen Inhibitor complex | Descriptor: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | Authors: | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | Deposit date: | 2007-02-19 | Release date: | 2007-05-08 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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2JJD
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![BU of 2jjd by Molmil](/molmil-images/mine/2jjd) | Protein Tyrosine Phosphatase, Receptor Type, E isoform | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2008-03-31 | Release date: | 2008-04-08 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.), 136, 2009
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6IJI
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![BU of 6iji by Molmil](/molmil-images/mine/6iji) | Crystal structure of PDE10 in complex with inhibitor 2b | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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4FS8
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![BU of 4fs8 by Molmil](/molmil-images/mine/4fs8) | The structure of an As(III) S-adenosylmethionine methyltransferase: insights into the mechanism of arsenic biotransformation | Descriptor: | Arsenic methyltransferase, CALCIUM ION | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | Deposit date: | 2012-06-27 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation. Biochemistry, 51, 2012
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3I9S
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![BU of 3i9s by Molmil](/molmil-images/mine/3i9s) | Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6 | Descriptor: | CHLORIDE ION, Integron cassette protein, SULFATE ION | Authors: | Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-13 | Release date: | 2009-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6 To be Published
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4FR0
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![BU of 4fr0 by Molmil](/molmil-images/mine/4fr0) | ArsM arsenic(III) S-adenosylmethionine methyltransferase with SAM | Descriptor: | Arsenic methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P. | Deposit date: | 2012-06-26 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation. Biochemistry, 51, 2012
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2P31
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![BU of 2p31 by Molmil](/molmil-images/mine/2p31) | Crystal structure of human glutathione peroxidase 7 | Descriptor: | CHLORIDE ION, Glutathione peroxidase 7 | Authors: | Kavanagh, K.L, Johansson, C, Papagrigoriou, E, Kochan, G, Umeano, C, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-08 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human glutathione peroxidase 7 To be Published
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7XD7
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![BU of 7xd7 by Molmil](/molmil-images/mine/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
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![BU of 7xd3 by Molmil](/molmil-images/mine/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
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![BU of 7xd4 by Molmil](/molmil-images/mine/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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