7K6E
| SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K40
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7TCQ
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4XAK
| Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ... | Authors: | Zhou, T, Dimtrov, D.S, Ying, T. | Deposit date: | 2014-12-15 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody. Nat Commun, 6, 2015
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6XM0
| Consensus structure of SARS-CoV-2 spike at pH 5.5 | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM5
| Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-07-29 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM4
| Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 2 | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XLU
| Structure of SARS-CoV-2 spike at pH 4.0 | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6XM3
| Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1 | 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: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6WL5
| Crystal structure of EcmrR C-terminal domain | Descriptor: | 1,2-ETHANEDIOL, CETYL-TRIMETHYL-AMMONIUM, CHLORIDE ION, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-04-18 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLK
| Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-4nt | Descriptor: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XL6
| Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPo | Descriptor: | CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLN
| Cryo-EM structure of E. coli RNAP-DNA elongation complex 2 (RDe2) in EcmrR-dependent transcription | Descriptor: | 9-nt RNA transcript, CHAPSO, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLM
| Cryo-EM structure of E.coli RNAP-DNA elongation complex 1 (RDe1) in EcmrR-dependent transcription | Descriptor: | 9-nt RNA transcript, CHAPSO, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLL
| Cryo-EM structure of E. coli RNAP-promoter initial transcribing complex with 5-nt RNA transcript (RPitc-5nt) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XLJ
| Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 4-nt RNA transcript (EcmrR-RPitc-4nt) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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6XL5
| Cryo-EM structure of EcmrR-RNAP-promoter open complex (EcmrR-RPo) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Yang, Y, Liu, C, Liu, B. | Deposit date: | 2020-06-28 | Release date: | 2021-04-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator. Nat Commun, 12, 2021
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4Z8M
| Crystal structure of the MAVS-TRAF6 complex | Descriptor: | Peptide from Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 6 | Authors: | Shi, Z.B, Zhou, Z. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Insights into Mitochondrial Antiviral Signaling Protein (MAVS)-Tumor Necrosis Factor Receptor-associated Factor 6 (TRAF6) Signaling J.Biol.Chem., 290, 2015
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1B8N
| PURINE NUCLEOSIDE PHOSPHORYLASE | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Fedorov, A.A, Kicska, G.A, Fedorov, E.V, Strokopytov, B.V, Tyler, P.C, Furneaux, R.H, Schramm, V.L, Almo, S.C. | Deposit date: | 1999-02-02 | Release date: | 1999-02-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atomic dissection of the hydrogen bond network for transition-state analogue binding to purine nucleoside phosphorylase Biochemistry, 41, 2002
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6OYY
| Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-15 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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6P02
| Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex | Descriptor: | 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-16 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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6OZ8
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6P1Y
| Crystal structure of Mtb aspartate decarboxylase mutant M117I | Descriptor: | AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ... | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-20 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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6PXG
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6PXH
| Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFOLIC ACID, ... | Authors: | Wang, N, McLellan, J.S. | Deposit date: | 2019-07-26 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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