6CM2
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![BU of 6cm2 by Molmil](/molmil-images/mine/6cm2) | SAMHD1 HD domain bound to decitabine triphosphate | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML. Nat Commun, 10, 2019
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6DWD
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![BU of 6dwd by Molmil](/molmil-images/mine/6dwd) | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DWJ
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![BU of 6dwj by Molmil](/molmil-images/mine/6dwj) | SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DW4
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![BU of 6dw4 by Molmil](/molmil-images/mine/6dw4) | SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket | Descriptor: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BRG
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![BU of 6brg by Molmil](/molmil-images/mine/6brg) | The SAM domain of mouse SAMHD1 is critical for its activation and regulation | Descriptor: | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | Authors: | Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y. | Deposit date: | 2017-11-30 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The SAM domain of mouse SAMHD1 is critical for its activation and regulation. Nat Commun, 9, 2018
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6CIU
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![BU of 6ciu by Molmil](/molmil-images/mine/6ciu) | Structure of a Thr-rich interface in an Azami Green tetramer | Descriptor: | Azami-Green | Authors: | Oi, C, Lim, C.S, Knecht, K.M, Xiong, Y, Regan, L. | Deposit date: | 2018-02-25 | Release date: | 2018-09-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A threonine zipper that mediates protein-protein interactions: Structure and prediction. Protein Sci., 27, 2018
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6DWK
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![BU of 6dwk by Molmil](/molmil-images/mine/6dwk) | SAMHD1 Bound to Fludarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BRH
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![BU of 6brh by Molmil](/molmil-images/mine/6brh) | The SAM domain of mouse SAMHD1 is critical for its activation and regulation | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | Authors: | Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y. | Deposit date: | 2017-11-30 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The SAM domain of mouse SAMHD1 is critical for its activation and regulation. Nat Commun, 9, 2018
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6BRK
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![BU of 6brk by Molmil](/molmil-images/mine/6brk) | The SAM domain of mouse SAMHD1 is critical for its activation and regulation | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | Authors: | Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y. | Deposit date: | 2017-11-30 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The SAM domain of mouse SAMHD1 is critical for its activation and regulation. Nat Commun, 9, 2018
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6DW7
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![BU of 6dw7 by Molmil](/molmil-images/mine/6dw7) | SAMHD1 without Catalytic Nucleotides | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GLYCINE, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DW3
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![BU of 6dw3 by Molmil](/molmil-images/mine/6dw3) | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DW5
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![BU of 6dw5 by Molmil](/molmil-images/mine/6dw5) | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3OVA
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![BU of 3ova by Molmil](/molmil-images/mine/3ova) | How the CCA-adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA | Descriptor: | 1,2-ETHANEDIOL, CCA-adding enzyme, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | Deposit date: | 2010-09-16 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA. Science, 330, 2010
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3OVS
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![BU of 3ovs by Molmil](/molmil-images/mine/3ovs) | How the CCA-adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CCA-Adding Enzyme, ... | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | Deposit date: | 2010-09-17 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA. Science, 330, 2010
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3OVB
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![BU of 3ovb by Molmil](/molmil-images/mine/3ovb) | How the CCA-adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CCA-Adding Enzyme, ... | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | Deposit date: | 2010-09-16 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA. Science, 330, 2010
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3P49
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![BU of 3p49 by Molmil](/molmil-images/mine/3p49) | Crystal Structure of a Glycine Riboswitch from Fusobacterium nucleatum | Descriptor: | GLYCINE, GLYCINE RIBOSWITCH, MAGNESIUM ION, ... | Authors: | Butler, E.B, Wang, J, Xiong, Y, Strobel, S. | Deposit date: | 2010-10-06 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structural basis of cooperative ligand binding by the glycine riboswitch. Chem.Biol., 18, 2011
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3OUY
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![BU of 3ouy by Molmil](/molmil-images/mine/3ouy) | How the CCA-adding Enzyme Selects Adenine Over Cytosine at Position 76 of tRNA | Descriptor: | 1,2-ETHANEDIOL, CCA-Adding Enzyme, PYROPHOSPHATE 2-, ... | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | Deposit date: | 2010-09-15 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA. Science, 330, 2010
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3OV7
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![BU of 3ov7 by Molmil](/molmil-images/mine/3ov7) | How the CCA-Adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CCA-Adding Enzyme, ... | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | Deposit date: | 2010-09-15 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA. Science, 330, 2010
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7E59
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![BU of 7e59 by Molmil](/molmil-images/mine/7e59) | interferon-inducible anti-viral protein truncated | Descriptor: | Guanylate-binding protein 5 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E5A
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![BU of 7e5a by Molmil](/molmil-images/mine/7e5a) | interferon-inducible anti-viral protein R356A | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E58
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![BU of 7e58 by Molmil](/molmil-images/mine/7e58) | interferon-inducible anti-viral protein 2 | Descriptor: | Guanylate-binding protein 2 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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4BZC
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![BU of 4bzc by Molmil](/molmil-images/mine/4bzc) | Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ... | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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4BZB
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![BU of 4bzb by Molmil](/molmil-images/mine/4bzb) | Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp Nat.Struct.Mol.Biol., 20, 2013
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5T83
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![BU of 5t83 by Molmil](/molmil-images/mine/5t83) | Structure of a guanidine-I riboswitch from S. acidophilus | Descriptor: | GUANIDINE, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | Authors: | Reiss, C.W, Xiong, Y, Strobel, S.A. | Deposit date: | 2016-09-06 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural Basis for Ligand Binding to the Guanidine-I Riboswitch. Structure, 25, 2017
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4REB
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![BU of 4reb by Molmil](/molmil-images/mine/4reb) | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | Descriptor: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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