4G9K
 
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase | | Authors: | Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J. | | Deposit date: | 2012-07-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GAX
 | | Crystal Structure of an alpha-Bisabolol synthase mutant | | Descriptor: | Amorpha-4,11-diene synthase | | Authors: | Li, J, Peng, Z. | | Deposit date: | 2012-07-26 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9948 Å) | | Cite: | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
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8IG0
 | | Crystal structure of menin in complex with DS-1594b | | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | | Deposit date: | 2023-02-20 | | Release date: | 2023-03-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
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8I2H
 | | Follicle stimulating hormone receptor | | Descriptor: | Follicle-stimulating hormone receptor | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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8I2G
 | | FSHR-Follicle stimulating hormone-compound 716340-Gs complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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4G3J
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)] | | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | | Deposit date: | 2012-07-14 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IBV
 | | Cryo-EM structure of the motilin-bound motilin receptor-Gq protein complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Jiang, Y, Xu, H.E, You, C, Xu, Y. | | Deposit date: | 2023-02-10 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
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8IBU
 | | Cryo-EM structure of the erythromycin-bound motilin receptor-Gq protein complex | | Descriptor: | ERYTHROMYCIN A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | You, C, Jiang, Y, Xu, H.E, Xu, Y. | | Deposit date: | 2023-02-10 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural basis for motilin and erythromycin recognition by motilin receptor.
Sci Adv, 9, 2023
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8IOY
 | | Structure of ATP7B C983S/C985S/D1027A mutant with AMP-PNP | | Descriptor: | Copper-transporting ATPase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yang, G, Xu, L, Guo, J, Wu, Z. | | Deposit date: | 2023-03-13 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
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4GHD
 | | Structure of Y257F variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.85 Ang resolution | | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kovaleva, E.G, Lipscomb, J.D. | | Deposit date: | 2012-08-07 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation.
Biochemistry, 51, 2012
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4G4C
 | | Room temperature X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 months of crystal storage | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Kroon-Batenburg, L.M.J, Helliwell, J.R. | | Deposit date: | 2012-07-16 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure.
Acta Crystallogr.,Sect.F, 68, 2012
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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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4G69
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8I5X
 | | Structure of human Nav1.7 in complex with Vinpocetine | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8I5B
 | | Structure of human Nav1.7 in complex with bupivacaine | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8I5Y
 | | Structure of human Nav1.7 in complex with vixotrigine | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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4GAP
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase | | Authors: | Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J. | | Deposit date: | 2012-07-25 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8I5G
 | | Structure of human Nav1.7 in complex with PF-05089771 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | Descriptor: | MM-102, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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8IQC
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8IQI
 | | Structure of Full-Length AsfvPrimPol in Complex-Form | | Descriptor: | DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Shao, Z.W, Su, S.C, Gan, J.H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
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8IQH
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8IQB
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