5GMG
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![BU of 5gmg by Molmil](/molmil-images/mine/5gmg) | Crystal structure of monkey TLR7 in complex with loxoribine and polyU | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2016-07-14 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA Immunity, 45, 2016
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5GMH
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![BU of 5gmh by Molmil](/molmil-images/mine/5gmh) | Crystal structure of monkey TLR7 in complex with R848 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2016-07-14 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA Immunity, 45, 2016
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4FCD
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![BU of 4fcd by Molmil](/molmil-images/mine/4fcd) | Potent and Selective Phosphodiesterase 10A Inhibitors | Descriptor: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ... | Authors: | Parris, K.D. | Deposit date: | 2012-05-24 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4FQ7
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![BU of 4fq7 by Molmil](/molmil-images/mine/4fq7) | Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16 | Descriptor: | Maleate cis-trans isomerase | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | Deposit date: | 2012-06-25 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside. Mol.Microbiol., 87, 2013
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5GUE
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![BU of 5gue by Molmil](/molmil-images/mine/5gue) | Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens | Descriptor: | Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | Authors: | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2016-08-28 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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4FQ5
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![BU of 4fq5 by Molmil](/molmil-images/mine/4fq5) | Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate | Descriptor: | MALEIC ACID, Maleate cis-trans isomerase | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | Deposit date: | 2012-06-25 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside. Mol.Microbiol., 87, 2013
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6ITD
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![BU of 6itd by Molmil](/molmil-images/mine/6itd) | Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid | Descriptor: | 3-(1-AMINOETHYL)NONANEDIOIC ACID, Slr0355 protein | Authors: | Sakaki, K, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-21 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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5GUC
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![BU of 5guc by Molmil](/molmil-images/mine/5guc) | Crystal structure of CotB2 (apo form) from Streptomyces melanosporofaciens | Descriptor: | Cyclooctat-9-en-7-ol synthase, FORMIC ACID | Authors: | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2016-08-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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6IR4
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![BU of 6ir4 by Molmil](/molmil-images/mine/6ir4) | Crystal structure of BioU from Synechocystis sp.PCC6803 (apo form) | Descriptor: | Slr0355 protein | Authors: | Sakaki, K, Oishi, K, Shimizu, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2018-11-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria. Nat.Chem.Biol., 16, 2020
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3SN7
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![BU of 3sn7 by Molmil](/molmil-images/mine/3sn7) | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | Descriptor: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Parris, K.D. | Deposit date: | 2011-06-28 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors. J.Med.Chem., 54, 2011
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3X2O
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![BU of 3x2o by Molmil](/molmil-images/mine/3x2o) | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | Descriptor: | Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2P
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![BU of 3x2p by Molmil](/molmil-images/mine/3x2p) | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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2ZNU
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![BU of 2znu by Molmil](/molmil-images/mine/2znu) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A | Descriptor: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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2ZAH
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![BU of 2zah by Molmil](/molmil-images/mine/2zah) | X-ray structure of Melon necrotic spot virus | Descriptor: | CALCIUM ION, Coat protein, UNKNOWN ATOM OR ION | Authors: | Wada, Y, Tsukihara, T, Omura, T. | Deposit date: | 2007-10-05 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | X-ray structure of Melon necrotic spot virus Acta Crystallogr.,Sect.F, 64, 2008
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2ZNT
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![BU of 2znt by Molmil](/molmil-images/mine/2znt) | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, dysiherbaine | Descriptor: | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2008-05-01 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors. J.Mol.Biol., 413, 2011
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1RT3
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![BU of 1rt3 by Molmil](/molmil-images/mine/1rt3) | AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91 | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-06-29 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes. Proc.Natl.Acad.Sci.USA, 95, 1998
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1RT7
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![BU of 1rt7 by Molmil](/molmil-images/mine/1rt7) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 | Descriptor: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT5
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![BU of 1rt5 by Molmil](/molmil-images/mine/1rt5) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT6
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![BU of 1rt6 by Molmil](/molmil-images/mine/1rt6) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 | Descriptor: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT4
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![BU of 1rt4 by Molmil](/molmil-images/mine/1rt4) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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6K36
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![BU of 6k36 by Molmil](/molmil-images/mine/6k36) | |
5HGH
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![BU of 5hgh by Molmil](/molmil-images/mine/5hgh) | HLA*A2402 complexed with HIV nef138 10mer epitope | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
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5HGB
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![BU of 5hgb by Molmil](/molmil-images/mine/5hgb) | HLA*A2402 complexed with HIV nef138 8mer epitope | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
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5HGD
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![BU of 5hgd by Molmil](/molmil-images/mine/5hgd) | HLA*A2402 complexed with HIV nef138 Y2F mutant 10mer epitope | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation. Cell Rep, 15, 2016
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5AWL
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![BU of 5awl by Molmil](/molmil-images/mine/5awl) | CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025 | Descriptor: | A mutant of Chignolin, CLN025 | Authors: | Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S. | Deposit date: | 2015-07-05 | Release date: | 2015-08-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Crystal structure of a ten-amino acid protein J.Am.Chem.Soc., 130, 2008
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