6AV5
 
 | | Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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6IV8
 | | the selenomethionine(SeMet)-derived Cas13d binary complex | | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | Deposit date: | 2018-12-02 | | Release date: | 2019-06-19 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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6ECB
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6AW4
 | | 1.50A resolution structure of catechol O-methyltransferase (COMT) from Nannospalax galili | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catechol O-methyltransferase, GLYCEROL, ... | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
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7JOZ
 | | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist | | Descriptor: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, Endolysin,D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, B, Feng, D, Chu, M.L, Fish, I, Kelm, S, Lebon, F, Lovera, S, Valade, A, Wood, M, Ceska, T, Kobilka, T.S, Sands, Z, Kobilka, B.K. | | Deposit date: | 2020-08-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist.
Nat Commun, 12, 2021
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6PMW
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6IUA
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6ECH
 | | Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Padyana, A, Tong, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
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5T3X
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6IV7
 | | The crystal structure of a SAM-dependent enzyme from aspergillus flavus | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, methyltransferase lepI | | Authors: | Zhou, Y.Z, Peng, T, Liao, L.J, Liu, X.K, Zhao, Y.C, Guo, Y, Zeng, Z.X. | | Deposit date: | 2018-12-02 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | The crystal structure of A SAM-Dependent enzyme from Aspergillus flavus
To Be Published
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6X7H
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7PQS
 | | SRPK1 in complex with MSC2711186 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Schroeder, M, Leiendecker, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-09-20 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | SRPK1 in complex with MSC2711186
To Be Published
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7K5L
 | | Ebola virus VP40 octameric ring generated by an RNA oligonucleotide | | Descriptor: | HSP RNA oligonucleotide, Matrix protein VP40 | | Authors: | Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O. | | Deposit date: | 2020-09-17 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
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6PLD
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction | | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ... | | Authors: | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | | Deposit date: | 2019-06-30 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
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6PN8
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.838 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6IVN
 | | Crystal structure of a membrane protein G264A | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, Ibestrophin, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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6EHB
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6PNM
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7K5D
 | | Ebola virus VP40 octameric ring generated by a DNA oligonucleotide | | Descriptor: | HSP DNA oligonucleotide, Matrix protein VP40 | | Authors: | Landeras-Bueno, S, Wasserman, H, Salie, Z.L, Saphire, E.O. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Cellular mRNA triggers structural transformation of Ebola virus matrix protein VP40 to its essential regulatory form.
Cell Rep, 35, 2021
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6EE1
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5TOQ
 | | High resolution crystal structure of AAT | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Mueser, T.C, Dajnowicz, S, Kovalevsky, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
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5F3E
 | | Crystal structure of human KDM4A in complex with compound 54a | | Descriptor: | 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6OZ6
 | | Crystal structure of MraY bound to 3'-hydroxymureidomycin A | | Descriptor: | (2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Mashalidis, E.H, Lee, S.Y. | | Deposit date: | 2019-05-15 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Chemical logic of MraY inhibition by antibacterial nucleoside natural products.
Nat Commun, 10, 2019
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6IF6
 | | Structure of the periplasmic domain of SflA | | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein SflA | | Authors: | Nishikawa, S, Sakuma, M, Kojima, S, Homma, M, Imada, K. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the periplasmic domain of SflA involved in spatial regulation of the flagellar biogenesis of Vibrio reveals a TPR/SLR-like fold.
J.Biochem., 166, 2019
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6AXM
 | | F95Y Epi-isozizaene synthase | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | | Deposit date: | 2017-09-07 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
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