3M4J
 
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with PALAO | | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2010-03-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reversible Post-Translational Carboxylation Modulates the Enzymatic Activity of N-Acetyl-l-ornithine Transcarbamylase.
Biochemistry, 49, 2010
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3M4N
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302A mutant complexed with PALAO | | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2010-03-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase.
Biochemistry, 49, 2010
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3M5D
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302R mutant complexed with PALAO | | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase.
Biochemistry, 49, 2010
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3M5C
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302E mutant complexed with PALAO | | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase.
Biochemistry, 49, 2010
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6N3J
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6N3U
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5TY4
 | | MicroED structure of a complex between monomeric TGF-b and its receptor, TbRII, at 2.9 A resolution | | Descriptor: | TGF-beta receptor type-2, mmTGF-b2-7m | | Authors: | Weiss, S.C, de la Cruz, M.J, Hattne, J, Shi, D, Reyes, F.E, Callero, G, Gonen, T. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.9 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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4I8B
 | | Crystal Structure of Thioredoxin from Schistosoma Japonicum | | Descriptor: | Thioredoxin | | Authors: | Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D. | | Deposit date: | 2012-12-03 | | Release date: | 2013-12-04 | | Last modified: | 2015-06-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum.
Parasitology, 142, 2015
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3J6K
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7K3Z
 | | P. falciparum Cpn60 D474A mutant bound to ATP | | Descriptor: | 60 kDa chaperonin, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Tolia, N.H, Shi, D, Nguyen, B. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.69 Å) | | Cite: | Crystal structure of P. falciparum Cpn60 bound to ATP reveals an open dynamic conformation before substrate binding.
Sci Rep, 11, 2021
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3Q98
 | | Structure of ygeW encoded protein from E. coli | | Descriptor: | transcarbamylase | | Authors: | Li, Y, Jing, Z, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2011-01-07 | | Release date: | 2011-05-04 | | Last modified: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The ygeW encoded protein from Escherichia coli is a knotted ancestral catabolic transcarbamylase.
Proteins, 79, 2011
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3PEQ
 | | PPARd complexed with a phenoxyacetic acid partial agonist | | Descriptor: | IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ... | | Authors: | Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V. | | Deposit date: | 2010-10-27 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
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4KZT
 | | Structure mmNAGS bound with L-arginine | | Descriptor: | ARGININE, DI(HYDROXYETHYL)ETHER, N-acetylglutamate kinase / N-acetylglutamate synthase | | Authors: | Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2013-05-30 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of N-acetyl-L-glutamate synthase/kinase from Maricaulis maris with the allosteric inhibitor L-arginine bound.
Biochem.Biophys.Res.Commun., 437, 2013
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4NEX
 | | Structure of the N-acetyltransferase domain of X. fastidiosa NAGS/K | | Descriptor: | Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE, SULFATE ION | | Authors: | Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2013-10-30 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6955 Å) | | Cite: | Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4NF1
 | | Structure of N-acetyltransferase domain of X. fastidiosa NAGS/K without his-tag | | Descriptor: | Acetylglutamate kinase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D. | | Deposit date: | 2013-10-30 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3986 Å) | | Cite: | Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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5KKY
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8TQP
 | | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | | Deposit date: | 2023-08-08 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
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8TOV
 | | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 | | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | | Deposit date: | 2023-08-04 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
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5K2H
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2G
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7OY5
 | | Crystal structure of GSK3Beta in complex with ARN25068 | | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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7OY6
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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6WJD
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