7RGK
 
 | | DfrA5 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | 分子名称: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase type 5, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Lombardo, M.N, Wright, D.L. | | 登録日 | 2021-07-15 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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7RGJ
 | | DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | | 分子名称: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, CALCIUM ION, ... | | 著者 | Lombardo, M.N, Wright, D.L. | | 登録日 | 2021-07-15 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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5KNS
 | | E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine | | 分子名称: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | | 著者 | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | | 登録日 | 2016-06-28 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | | 主引用文献 | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
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8DYQ
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | 登録日 | 2022-08-04 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
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7XT9
 | | Serotonin 4 (5-HT4) receptor-Gs complex | | 分子名称: | CHOLESTEROL, 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, ... | | 著者 | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | | 登録日 | 2022-05-16 | | 公開日 | 2022-07-27 | | 最終更新日 | 2022-08-03 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
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6EDC
 | | hcGAS-16bp dsDNA complex | | 分子名称: | Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ... | | 著者 | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | | 登録日 | 2018-08-09 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.712 Å) | | 主引用文献 | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7XT8
 | | Serotonin 4 (5-HT4) receptor-Gs-Nb35 complex | | 分子名称: | CHOLESTEROL, 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, ... | | 著者 | Huang, S, Xu, P, Shen, D.D, Simon, I.A, Mao, C, Tan, Y, Zhang, H, Harpsoe, K, Li, H, Zhang, Y, You, C, Yu, X, Jiang, Y, Zhang, Y, Gloriam, D.E, Xu, H.E. | | 登録日 | 2022-05-16 | | 公開日 | 2022-07-27 | | 最終更新日 | 2022-08-03 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | GPCRs steer G i and G s selectivity via TM5-TM6 switches as revealed by structures of serotonin receptors.
Mol.Cell, 82, 2022
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8QOR
 | | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions | | 分子名称: | DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3') | | 著者 | El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M. | | 登録日 | 2023-09-29 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-31 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
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8DR2
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | | 分子名称: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ... | | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | 登録日 | 2022-07-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
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8DRB
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | | 分子名称: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ... | | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | 登録日 | 2022-07-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
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8BVP
 | | Crystal structure of an N-terminal fragment of the effector protein Lpg2504 (SidI) from Legionella pneumophila | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Restriction endonuclease | | 著者 | Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the N-terminal domain of the effector protein SidI of Legionella pneumophila reveals a glucosyl transferase domain.
Biochem.Biophys.Res.Commun., 661, 2023
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6UG2
 | | C2 symmetric peptide design number 1, Zappy, crystal form 2 | | 分子名称: | C2-1, Zappy, crystal form 2, ... | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6OJ0
 | | Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1) | | 分子名称: | Structural protein VP4, Uncharacterized protein | | 著者 | Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H. | | 登録日 | 2019-04-10 | | 公開日 | 2019-10-02 | | 最終更新日 | 2020-01-08 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8DPC
 | | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | | 分子名称: | Carbonic anhydrase, SULFATE ION, ZINC ION | | 著者 | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | 登録日 | 2022-07-15 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
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8IWA
 | | Crystal structure of Q9PR55 at pH 6.5 | | 分子名称: | SULFATE ION, Uncharacterized protein UU089.1 | | 著者 | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | | 登録日 | 2023-03-29 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
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6PTD
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32L | | 分子名称: | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | 著者 | Heinz, D.W. | | 登録日 | 1997-07-18 | | 公開日 | 1998-01-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
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8BCY
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | | 分子名称: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | | 登録日 | 2022-10-17 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors.
Eur.J.Med.Chem., 254, 2023
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8BLQ
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6Q38
 | | The Crystal structure of CK2a bound to P1-C4 | | 分子名称: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | | 登録日 | 2018-12-03 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
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6EPM
 | | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 | | 分子名称: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ... | | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | | 登録日 | 2017-10-12 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ZPA
 | | Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and one catalytic Zn2+ ion | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, DatZ, LITHIUM ION, ... | | 著者 | Czernecki, D, Legrand, P, Delarue, M. | | 登録日 | 2020-07-08 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (0.86000258 Å) | | 主引用文献 | How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
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6EPP
 | | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 | | 分子名称: | GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ... | | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | | 登録日 | 2017-10-12 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ZPC
 | | Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dATP | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DatZ, LITHIUM ION, ... | | 著者 | Czernecki, D, Legrand, P, Delarue, M. | | 登録日 | 2020-07-08 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.2683593 Å) | | 主引用文献 | How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
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6ZP9
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6ZPB
 | | Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and two catalytic Co2+ ions | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, COBALT (II) ION, DatZ | | 著者 | Czernecki, D, Legrand, P, Delarue, M. | | 登録日 | 2020-07-08 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.72097385 Å) | | 主引用文献 | How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
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