8T7C
 
 | | Crystal structure of human phospholipase C gamma 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION | | Authors: | Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J. | | Deposit date: | 2023-06-20 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPS
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UTE
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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7Y63
 | | ApoSIDT2-pH7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
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7Y68
 | | SIDT2-pH5.5 plus miRNA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
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7Y69
 | | ApoSIDT2-pH5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
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4G1C
 | | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2012-07-10 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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4ZZH
 | | SIRT1/Activator Complex | | Descriptor: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1001 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZI
 | | SIRT1/Activator/Inhibitor Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7346 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZJ
 | | SIRT1/Activator/Substrate Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7403 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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6YMQ
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ... | | Authors: | Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-04-09 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6Y6C
 | | TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6YYE
 | | TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2 | | Authors: | Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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4FVT
 | | Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | | Descriptor: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dai, H. | | Deposit date: | 2012-06-29 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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8XC1
 | | C. elegans SID1 in complex with dsRNA | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gong, D.S. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
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8XBS
 | | C. elegans apo-SID1 structure | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gong, D.S. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
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7FH1
 | | Structure of the human Meckelin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Meckelin, beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gong, D.S. | | Deposit date: | 2021-07-29 | | Release date: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structure of the human Meckel-Gruber protein Meckelin.
Sci Adv, 7, 2021
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6ZHC
 | | PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL | | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ... | | Authors: | Chung, C. | | Deposit date: | 2020-06-22 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
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8UV0
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3V53
 | | Crystal structure of human RBM25 | | Descriptor: | RNA-binding protein 25 | | Authors: | Gong, D.S. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure and functional characterization of the human RBM25 PWI domain and its flanking basic region
Biochem.J., 450, 2013
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7WZW
 | | Cryo-EM structure of MEC1-DDC2-MMS | | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | | Authors: | Zhang, Q, Zhang, Q. | | Deposit date: | 2022-02-19 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins.
Cell Discov, 8, 2022
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7WZR
 | | Cryo-EM structure of Mec1-HU | | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | | Authors: | Zhang, Q, Zhang, Q. | | Deposit date: | 2022-02-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins.
Cell Discov, 8, 2022
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