8DSI
 
 | | Human NAMPT in complex with substrate NAM | | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DTJ
 | | Human NAMPT in complex with small molecule activator ZN-43-S | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-25 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSD
 | | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSH
 | | Human NAMPT in complex with quercitrin and AMPcP | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSE
 | | Human NAMPT in complex with substrate NAM and activator quercitrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.428 Å) | | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
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8DSM
 | | Human NAMPT in complex with inhibitor ZN-4-3 | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A structural mechanism for positive allosteric modulation of nicotinamide phosphoribosyltransferase to elevate cellular NAD+
To Be Published
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3QQA
 | | Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni | | Descriptor: | CmeR, TAUROCHOLIC ACID | | Authors: | Lei, H.T, Routh, M.D, Shen, Z, Su, C.-C, Zhang, Q, Yu, E.W. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni.
Protein Sci., 20, 2011
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3QPS
 | | Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni | | Descriptor: | CHOLIC ACID, CmeR | | Authors: | Lei, H.T, Routh, M.D, Shen, Z, Su, C.C, Zhang, Q, Yu, E.W. | | Deposit date: | 2011-02-14 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni.
Protein Sci., 20, 2011
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8F7L
 | | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S | | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S
To Be Published
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7E9V
 | | The Crystal Structure of human UMP-CMP kinase from Biortus. | | Descriptor: | SULFATE ION, UMP-CMP kinase | | Authors: | Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M. | | Deposit date: | 2021-03-05 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
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8SP0
 | | Symmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2023-05-01 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8SPO
 | | Tetramerized activation of MapSPARTA bound with NAD+ | | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain-containing protein, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2023-05-03 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8SQU
 | | Monomeric MapSPARTA bound with guide RNA and target DNA hybrid | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2023-05-04 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8SP3
 | | Asymmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2023-05-01 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8SXX
 | | E. coli dodecamer SIR2 | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8SUB
 | | E. coli SIR2-HerA complex (dodecamer SIR2 pentamer HerA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-05-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8SU9
 | | E. coli SIR2-HerA complex (hexamer HerA bound with dodecamer Sir2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-05-11 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8SUW
 | | E. coli SIR2-HerA complex (dodecamer SIR2 bound 4 protomers of HerA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-05-13 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8UAF
 | | E. coli Sir2_HerA complex (12:6) bound with NAD+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8UAE
 | | E. coli Sir2_HerA complex (12:6) with ATPgamaS | | Descriptor: | MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8FFI
 | | Structure of tetramerized MapSPARTA upon guide RNA-mediated target DNA binding | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8FEX
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7LLF
 | | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83 | | Descriptor: | 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ... | | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | | Deposit date: | 2021-02-03 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
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7LLZ
 | | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-69 | | Descriptor: | N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide, Non-structural protein 3, SULFATE ION, ... | | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | | Deposit date: | 2021-02-04 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
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7LOS
 | | SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-65 | | Descriptor: | 5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ... | | Authors: | Ratia, K.M, Xiong, R, Thatcher, G.R. | | Deposit date: | 2021-02-10 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
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