6O4D
 
 | | Structure of ALDH7A1 mutant W175A complexed with L-pipecolic acid | | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
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6ODC
 | | Crystal structure of HDAC8 in complex with compound 30 | | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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5KOW
 | | Structure of rifampicin monooxygenase | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase | | Authors: | Tanner, J.J, Liu, L.-K. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
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6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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2M6X
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6O4B
 | | Structure of ALDH7A1 mutant W175G complexed with NAD | | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
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5L06
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 3rd Position | | Descriptor: | DNA (5'-D(*CP*GP*(5CM)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Miears, H.L, Hoppins, J.J, Gruber, D.R, Kasymov, R.D, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-07-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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6O4L
 | | Structure of ALDH7A1 mutant E399D complexed with NAD | | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | Deposit date: | 2019-02-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
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5KJX
 | | Co-crystal Structure of PKA RI alpha CNB-B domain with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | | Deposit date: | 2016-06-20 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
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5KJY
 | | Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | | Deposit date: | 2016-06-20 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
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6U7C
 | | Human GRK2 in complex with Gbetagamma subunits and CCG258747 | | Descriptor: | 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Bouley, R, Tesmer, J.J.G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of themu-Opioid Receptor.
Mol.Pharmacol., 97, 2020
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5YFP
 | | Cryo-EM Structure of the Exocyst Complex | | Descriptor: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | | Authors: | Mei, K, Li, Y, Wang, S, Shao, G, Wang, J, Ding, Y, Luo, G, Yue, P, Liu, J.J, Wang, X, Dong, M.Q, Guo, W, Wang, H.W. | | Deposit date: | 2017-09-21 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of the exocyst complex
Nat. Struct. Mol. Biol., 25, 2018
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5Y66
 | | Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN and Ro61-8048 | | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Xiang, Y, Gao, J.J, Zhu, D.Y. | | Deposit date: | 2017-08-10 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Biochemistry and structural studies of kynurenine 3-monooxygenase reveal allosteric inhibition by Ro 61-8048
FASEB J., 32, 2018
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5L1D
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2LXL
 | | Lip5(mit)2 | | Descriptor: | Vacuolar protein sorting-associated protein VTA1 homolog | | Authors: | Skalicky, J.J, Sundquist, W.I. | | Deposit date: | 2012-08-29 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Interactions of the Human LIP5 Regulatory Protein with Endosomal Sorting Complexes Required for Transport.
J.Biol.Chem., 287, 2012
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2M6N
 | | 3D solution structure of EMI1 (Early Mitotic Inhibitor 1) | | Descriptor: | F-box only protein 5, ZINC ION | | Authors: | Frye, J.J, Brown, N.G, Petzold, G, Watson, E.R, Royappa, G.R, Nourse, A, Jarvis, M, Kriwacki, R.W, Peters, J, Stark, H, Schulman, B.A. | | Deposit date: | 2013-04-06 | | Release date: | 2013-05-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Electron microscopy structure of human APC/C(CDH1)-EMI1 reveals multimodal mechanism of E3 ligase shutdown.
Nat.Struct.Mol.Biol., 20, 2013
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2MIT
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5L2G
 | | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(5CM)P*GP*CP*G)-3') | | Authors: | Miears, H.L, Hoppins, J.J, Gruber, D.R, Kasymov, R.D, Johnson, E.C, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-08-01 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018
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5L1M
 | | CASKIN2 SAM domain tandem | | Descriptor: | Caskin-2 | | Authors: | Donaldson, L.W, Kwan, J.J, Saridakis, V. | | Deposit date: | 2016-07-29 | | Release date: | 2016-08-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | A new mode of SAM domain mediated oligomerization observed in the CASKIN2 neuronal scaffolding protein.
Cell Commun. Signal, 14, 2016
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2LZY
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5KOX
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2MDZ
 | | NMR structure of the Paracoccus denitrificans Z-subunit determined in the presence of ADP | | Descriptor: | Uncharacterized protein | | Authors: | Serrano, P, Geralt, M, Wuthrich, K, Morales-Rios, E, Zarco-Zavala, M, Garcia-Trejo, J.J, Dutta, S.K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2013-09-20 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the putative ATPase regulatory protein YP_916642.1 from Paracoccus denitrificans
To be Published
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2LVI
 | | Solution structure of apo-Phl p 7 | | Descriptor: | Polcalcin Phl p 7 | | Authors: | Henzl, M.T, Tanner, J.J. | | Deposit date: | 2012-07-05 | | Release date: | 2012-10-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
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5WFE
 | | Cas1-Cas2-IHF-DNA holo-complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | | Authors: | Wright, A.V, Liu, J.J, Nogales, E, Doudna, J.A. | | Deposit date: | 2017-07-11 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structures of the CRISPR genome integration complex.
Science, 357, 2017
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5L93
 | | An atomic model of HIV-1 CA-SP1 reveals structures regulating assembly and maturation | | Descriptor: | Capsid protein p24 | | Authors: | Schur, F.K.M, Obr, M, Hagen, W.J.H, Wan, W, Arjen, J.J, Kirkpatrick, J.M, Sachse, C, Kraeusslich, H.-G, Briggs, J.A.G. | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | An atomic model of HIV-1 capsid-SP1 reveals structures regulating assembly and maturation.
Science, 353, 2016
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