8A1X
 
 | | Sodium pumping NADH-quinone oxidoreductase with inhibitor DQA | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
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6SKK
 | | Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8) | | 分子名称: | capsid protein | | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | 登録日 | 2019-08-15 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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5JNC
 | | Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide | | 分子名称: | 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | | 著者 | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | 登録日 | 2016-04-29 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5DMY
 | | Beta-galactosidase - construct 33-930 | | 分子名称: | 1,2-ETHANEDIOL, Beta-galactosidase, MAGNESIUM ION, ... | | 著者 | Watson, K.A, Lazidou, A. | | 登録日 | 2015-09-09 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Rational protein engineering toward the development of a beta-galactosidase with improved functional properties
To Be Published
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8ADJ
 | | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | | 分子名称: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ariza, A, Fontana, P. | | 登録日 | 2022-07-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.508 Å) | | 主引用文献 | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
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9GFF
 | | BCR Fab from the subset 1 chronic lymphocytic leukaemia case P10015 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BCR P10015 heavy chain, BCR P10015 light chain | | 著者 | Minici, C, Degano, M. | | 登録日 | 2024-08-09 | | 公開日 | 2025-08-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Defective cell-autonomous signalling and antigenic polyreactivity of B-cell receptors from chronic lymphocytic leukaemia stereotyped subset 1
To Be Published
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5JNA
 | | Crystal structure for the complex of human carbonic anhydrase IV and topiramate | | 分子名称: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | 著者 | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | 登録日 | 2016-04-29 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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8ABQ
 | | Structure of the SNX1-SNX5 complex, Pt derivative | | 分子名称: | PLATINUM (II) ION, Sorting nexin-1, Sorting nexin-5 | | 著者 | Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A. | | 登録日 | 2022-07-04 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
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6SWH
 | | Crystal structure of the ternary complex between the type 1 pilus proteins FimC, FimI and FimA from E. coli | | 分子名称: | 1,2-ETHANEDIOL, Chaperone protein FimC, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Giese, C, Puorger, C, Ignatov, O, Weber, M, Scharer, M.A, Capitani, G, Glockshuber, R. | | 登録日 | 2019-09-20 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Comprehensive kinetic characterization of bacterial pilus rod assembly and assembly termination
To Be Published
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7BG3
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046 | | 分子名称: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | 著者 | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | 登録日 | 2021-01-05 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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5O02
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6STJ
 | | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | | 分子名称: | Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | 登録日 | 2019-09-10 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021
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7UAZ
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | 分子名称: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.F. | | 登録日 | 2022-03-14 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
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7BJM
 | | Crystal structure of CHK1-10pt-mutant complex with compound 10 | | 分子名称: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7UAY
 | | Crystal structure of human CYP3A4 with the caged inhibitor | | 分子名称: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.F. | | 登録日 | 2022-03-14 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
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4Z4L
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3KE4
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9C76
 | | LRRK2 Roc domain RP (Ras-pocket) complexed to Divarasib | | 分子名称: | 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one, BROMIDE ION, FLUORIDE ION, ... | | 著者 | Zhu, L.Y, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2024-06-10 | | 公開日 | 2024-12-11 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | LRRK2 Roc domain RP (Ras-pocket) complexed to Divarasib
To Be Published
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7BJO
 | | Crystal structure of CHK1-10pt-mutant complex with compound 13 | | 分子名称: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | 登録日 | 2021-01-14 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6S4D
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9BJQ
 | | X-ray crystal structure of wild-type Thermothelomyces thermophilus polysaccharide monooxygenase 9E | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | | 著者 | Thomas, W.C, Sayler, R.I, Marletta, M.A. | | 登録日 | 2024-04-25 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Electron transfer in polysaccharide monooxygenase catalysis.
Proc.Natl.Acad.Sci.USA, 122, 2025
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7AJF
 | | bovine ATP synthase dimer state2:state2 | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | | 著者 | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | 登録日 | 2020-09-29 | | 公開日 | 2021-02-03 | | 最終更新日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (8.45 Å) | | 主引用文献 | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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9BJS
 | | X-ray crystal structure of Y62W Thermothelomyces thermophilus polysaccharide monooxygenase 9E | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, COPPER (II) ION, ... | | 著者 | Thomas, W.C, Sayler, R.I, Marletta, M.A. | | 登録日 | 2024-04-25 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Electron transfer in polysaccharide monooxygenase catalysis.
Proc.Natl.Acad.Sci.USA, 122, 2025
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6RCA
 | | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 2.2'-anhydrouridine at 1.34 A | | 分子名称: | 1,2-ETHANEDIOL, 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil, CHLORIDE ION, ... | | 著者 | Prokofev, I.I, Eistrikh-Geller, P.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. | | 登録日 | 2019-04-11 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | | 主引用文献 | X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine
Crystallography Reports, 2020
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5O52
 | | Glycogen Phosphorylase b in complex with 33b | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2017-05-31 | | 公開日 | 2017-09-27 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
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