5VOB
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8BYR
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8EXX
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and foscarnet (pre-translocation state) | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2022-10-26 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 2024
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5VOC
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5W5A
| Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c) | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr, SULFATE ION | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2019-01-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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3IWM
| The octameric SARS-CoV main protease | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Zhong, N, Zhang, S, Xue, F, Lou, Z, Rao, Z, Xia, B. | Deposit date: | 2009-09-02 | Release date: | 2010-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease Protein Cell, 1, 2010
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5W5B
| Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c), truncated construct | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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3Q4H
| Crystal structure of the Mycobacterium smegmatis EsxGH complex (MSMEG_0620-MSMEG_0621) | Descriptor: | Low molecular weight protein antigen 7, Pe family protein | Authors: | Chan, S, Harris, L, Kuo, E, Ahn, C, Zhou, T.T, Nguyen, L, Shin, A, Sawaya, M.R, Cascio, D, Arbing, M.A, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-12-23 | Release date: | 2011-01-26 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions. Plos One, 8, 2013
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7EU5
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | Descriptor: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-16 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.731 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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7ET7
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | Descriptor: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-12 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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7WHU
| Human Neutrophil Elastase in-complex with Ecotin Peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ... | Authors: | Shankar, S, Jayaraman, S. | Deposit date: | 2021-12-31 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide Protein Sci., 31, 2022
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7X25
| MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J, Zhang, S, Zhou, H, Wang, X. | Deposit date: | 2022-02-25 | Release date: | 2023-01-18 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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8V1R
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and DTTP in closed conformation | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 2024
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8V1T
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA and acyclovir triphosphate in closed conformation | Descriptor: | ACYCLOVIR TRIPHOSPHATE, DNA polymerase, DNA polymerase processivity factor, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 2024
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8V1S
| Herpes simplex virus 1 polymerase holoenzyme bound to mismatched DNA in editing conformation | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 2024
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8V1Q
| Herpes simplex virus 1 polymerase holoenzyme bound to DNA in both open/closed conformations | Descriptor: | DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ... | Authors: | Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J. | Deposit date: | 2023-11-21 | Release date: | 2024-09-04 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance. Cell, 2024
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1TWO
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2ETF
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2EUI
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1SMC
| Mycobacterium tuberculosis dUTPase complexed with dUTP in the absence of metal ion. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-03-09 | Release date: | 2004-03-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism. J.Mol.Biol., 341, 2004
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7FCD
| Structure of the SARS-CoV-2 A372T spike glycoprotein (open) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wang, X, Zhang, S. | Deposit date: | 2021-07-14 | Release date: | 2022-01-26 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2. Cell Res., 32, 2022
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7FCE
| Structure of the SARS-CoV-2 A372T spike glycoprotein (closed) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wang, X, Zhang, S. | Deposit date: | 2021-07-14 | Release date: | 2022-01-26 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2. Cell Res., 32, 2022
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4LF2
| Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium | Descriptor: | CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ... | Authors: | Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J. | Deposit date: | 2013-06-26 | Release date: | 2014-06-25 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris. J.Biol.Chem., 289, 2014
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3DOX
| X-ray structure of HIV-1 protease in situ product complex | Descriptor: | A PEPTIDE SUBSTRATE-PIV, A PEPTIDE SUBSTRATE-SQNY, HIV-1 PROTEASE | Authors: | Hosur, M.V, Ferrer, J.-L, Das, A, Prashar, V, Bihani, S. | Deposit date: | 2008-07-07 | Release date: | 2008-09-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of HIV-1 protease in situ product complex Proteins, 74, 2009
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4LF1
| Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | Authors: | Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J. | Deposit date: | 2013-06-26 | Release date: | 2014-06-25 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris. J.Biol.Chem., 289, 2014
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