9AZO
 
 | | Crystal structure of CHMS Dehydrogenase PmdC from Comamonas testosteroni bound to cofactor NADP | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PmdC, SULFATE ION | | 著者 | Rodrigues, A.V, Moriarty, N.W, Pereira, J.H, Adams, P.D. | | 登録日 | 2024-03-11 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Characterization of lignin degrading enzyme PmdC, which catalyzes a key step in the synthesis of polymer precursor 2-pyrone-4,6-dicarboxylic acid (PDC).
J.Biol.Chem., 2024
|
|
9EZG
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 分子名称: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-12 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
|
|
4WDF
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP | | 分子名称: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE | | 著者 | Myllykoski, M, Raasakka, A, Kursula, P. | | 登録日 | 2014-09-08 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
|
|
8ZLD
 | |
9EU5
 | | SSX structure of Autotaxin at room temperature | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | 著者 | Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S. | | 登録日 | 2024-03-27 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
|
|
9EVD
 | | In situ structure of the peripheral stalk of the mitochondrial ATPsynthase in whole Polytomella cells | | 分子名称: | ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ... | | 著者 | Dietrich, L, Agip, A.N.A, Kuehlbrandt, W. | | 登録日 | 2024-03-29 | | 公開日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | | 主引用文献 | In situ structure and rotary states of mitochondrial ATP synthase in whole Polytomella cells.
Science, 385, 2024
|
|
9GSS
 | |
9FFH
 | | Native capsid of Rhodobacter microvirus Ebor computed with I4 symmetry | | 分子名称: | Major capsid protein | | 著者 | Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A. | | 登録日 | 2024-05-23 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography.
Biorxiv, 2024
|
|
9FHE
 | | hKHK-C in complex with BI-9787 (pH 5.5) | | 分子名称: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase | | 著者 | Ebenhoch, R, Pautsch, A. | | 登録日 | 2024-05-27 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.313 Å) | | 主引用文献 | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
|
|
9EQK
 | |
9CTS
 | | Best1 + GABA intermediate state 2 | | 分子名称: | Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID | | 著者 | Owji, A.P, Kittredge, A, Zhang, Y, Yang, T. | | 登録日 | 2024-07-25 | | 公開日 | 2024-09-25 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
|
|
9B7B
 | |
9B9G
 | | Structure of the PI4KA complex bound to Calcineurin | | 分子名称: | CALCIUM ION, Calcineurin subunit B type 1, Hyccin, ... | | 著者 | Shaw, A.L, Suresh, S, Yip, C.K, Burke, J.E. | | 登録日 | 2024-04-02 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure of calcineurin bound to PI4KA reveals dual interface in both PI4KA and FAM126A.
Structure, 2024
|
|
9ENT
 | | SSX structure of Autotaxin in cryogenic conditions | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | 著者 | Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S. | | 登録日 | 2024-03-13 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
|
|
9ICD
 | | CATALYTIC MECHANISM OF NADP+-DEPENDENT ISOCITRATE DEHYDROGENASE: IMPLICATIONS FROM THE STRUCTURES OF MAGNESIUM-ISOCITRATE AND NADP+ COMPLEXES | | 分子名称: | ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Hurley, J.H, Dean, A.M, Koshland Jr, D.E, Stroud, R.M. | | 登録日 | 1991-07-29 | | 公開日 | 1991-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Catalytic mechanism of NADP(+)-dependent isocitrate dehydrogenase: implications from the structures of magnesium-isocitrate and NADP+ complexes.
Biochemistry, 30, 1991
|
|
9BK2
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | | 分子名称: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | 登録日 | 2024-04-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
|
|
9BK3
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | | 分子名称: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | 登録日 | 2024-04-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
|
|
8ZH4
 | | HIV-1 integrase core domain in complex with compound 5 | | 分子名称: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | | 著者 | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
|
|
9CTT
 | | Best1 + GABA closed state | | 分子名称: | Bestrophin-1, CALCIUM ION | | 著者 | Owji, A.P, Kittredge, A, Zhang, Y, Yang, T. | | 登録日 | 2024-07-25 | | 公開日 | 2024-09-25 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
|
|
9CTR
 | | Best1 + GABA intermediate state 1 | | 分子名称: | Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID | | 著者 | Owji, A.P, Kittredge, A, Zhang, Y, Yang, T. | | 登録日 | 2024-07-25 | | 公開日 | 2024-09-25 | | 実験手法 | ELECTRON MICROSCOPY (2.42 Å) | | 主引用文献 | GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
|
|
8ZHA
 | | HIV-1 integrase core domain in complex with compound 15 | | 分子名称: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | | 著者 | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety.
Bioorg.Med.Chem.Lett., 110, 2024
|
|
9CTQ
 | | Best1 + GABA open state | | 分子名称: | Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID | | 著者 | Owji, A.P, Kittredge, A, Zhang, Y, Yang, T. | | 登録日 | 2024-07-25 | | 公開日 | 2024-09-25 | | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | | 主引用文献 | GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
|
|
9EVX
 | | cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P. | | 登録日 | 2024-04-02 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (1.71 Å) | | 主引用文献 | Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II.
Science, 384, 2024
|
|
9EUU
 | | Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo | | 分子名称: | Alpha-synuclein | | 著者 | Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F. | | 登録日 | 2024-03-28 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (1.93 Å) | | 主引用文献 | Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
|
|
4V27
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine | | 分子名称: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ... | | 著者 | Hakki, Z, Bellmaine, S, Thompson, A.J, Speciale, G, Davies, G.J, Williams, S.J. | | 登録日 | 2014-10-07 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and Kinetic Dissection of the Endo-Alpha-1,2-Mannanase Activity of Bacterial Gh99 Glycoside Hydrolases from Bacteroides Spp.
Chemistry, 21, 2015
|
|
