6E0E
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![BU of 6e0e by Molmil](/molmil-images/mine/6e0e) | Crystal structure of Glucokinase in complex with compound 6 | Descriptor: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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6E3B
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6E5X
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![BU of 6e5x by Molmil](/molmil-images/mine/6e5x) | Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30 | Authors: | Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2018-07-23 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication. Cell, 175, 2018
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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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8D3F
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![BU of 8d3f by Molmil](/molmil-images/mine/8d3f) | Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST | Descriptor: | Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST | Authors: | Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D. | Deposit date: | 2022-06-01 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment. Nat Commun, 13, 2022
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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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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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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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6EEZ
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![BU of 6eez by Molmil](/molmil-images/mine/6eez) | |
6Z47
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![BU of 6z47 by Molmil](/molmil-images/mine/6z47) | Smooth muscle myosin shutdown state heads region | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ... | Authors: | Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Structure of the shutdown state of myosin-2. Nature, 588, 2020
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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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8EON
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![BU of 8eon by Molmil](/molmil-images/mine/8eon) | Pseudomonas phage E217 baseplate complex | Descriptor: | Baseplate component gp33, Baseplate component gp34, Baseplate component gp36, ... | Authors: | Li, F, Cingolani, G, Hou, C. | Deposit date: | 2022-10-03 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217. Nat Commun, 14, 2023
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8ENV
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![BU of 8env by Molmil](/molmil-images/mine/8env) | In situ cryo-EM structure of Pseudomonas phage E217 tail baseplate in C6 map | Descriptor: | Baseplate_J domain-containing protein gp44, Ripcord gp36, Sheath initiator gp34, ... | Authors: | Li, F, Cingolani, G, Hou, C. | Deposit date: | 2022-09-30 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217. Nat Commun, 14, 2023
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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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6DKU
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![BU of 6dku by Molmil](/molmil-images/mine/6dku) | Crystal structure of Myotis VP35 mutant of interferon inhibitory domain | Descriptor: | VP35 | Authors: | Liu, H, Ginell, G.M, Keefe, L.J, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2018-05-30 | Release date: | 2018-07-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conservation of Structure and Immune Antagonist Functions of Filoviral VP35 Homologs Present in Microbat Genomes. Cell Rep, 24, 2018
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7SFS
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7SG7
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![BU of 7sg7 by Molmil](/molmil-images/mine/7sg7) | |
5GZO
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![BU of 5gzo by Molmil](/molmil-images/mine/5gzo) | Structure of neutralizing antibody bound to Zika envelope protein | Descriptor: | Antibody heavy chain, Antibody light chain, Genome polyprotein | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2016-09-29 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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7SP4
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![BU of 7sp4 by Molmil](/molmil-images/mine/7sp4) | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 2 at 3.71A resolution | Descriptor: | Gene 3 protein, Gene 5 protein, Gene 7 protein | Authors: | Li, F, Cingolani, G, Hou, C, Yang, R. | Deposit date: | 2021-11-02 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine. Sci Adv, 8, 2022
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7SPU
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![BU of 7spu by Molmil](/molmil-images/mine/7spu) | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 1 at 3.73A resolution | Descriptor: | Gene 3 protein, Gene 5 protein, Gene 7 protein | Authors: | Li, F, Cingolani, G, Hou, C, Yang, R. | Deposit date: | 2021-11-03 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine. Sci Adv, 8, 2022
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5E0G
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![BU of 5e0g by Molmil](/molmil-images/mine/5e0g) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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1PC8
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![BU of 1pc8 by Molmil](/molmil-images/mine/1pc8) | Crystal Structure of a novel form of mistletoe lectin from Himalayan Viscum album L. at 3.8A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Himalayan mistletoe ribosome-inactivating protein, ... | Authors: | Mishra, V, Ethayathulla, A.S, Paramasivam, M, Singh, G, Yadav, S, Kaur, P, Sharma, R.S, Babu, C.R, Singh, T.P. | Deposit date: | 2003-05-16 | Release date: | 2004-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of a novel ribosome-inactivating protein from a hemi-parasitic plant inhabiting the northwestern Himalayas. Acta Crystallogr.,Sect.D, 60, 2004
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5VJ2
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![BU of 5vj2 by Molmil](/molmil-images/mine/5vj2) | Structure of human respiratory syncytial virus non-structural protein 1 (NS1) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Leung, D.W, Borek, D.M, Amarasinghe, G.K. | Deposit date: | 2017-04-18 | Release date: | 2017-07-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural basis for human respiratory syncytial virus NS1-mediated modulation of host responses. Nat Microbiol, 2, 2017
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