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7LAO
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Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
著者Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-06
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7C89
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Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant modified with 2-bromoacetophenone(Ph@ApPrx*)
分子名称: 2-bromanyl-1-phenyl-ethanone, CITRATE ANION, Peroxiredoxin
著者Himiyama, T, Nakamura, T.
登録日2020-05-29
公開日2020-12-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021
7LBI
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Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, PHENIX-refined
分子名称: Isonitrile hydratase InhA
著者Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
登録日2021-01-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
8PF3
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BU of 8pf3 by Molmil
Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium
分子名称: 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L.
登録日2023-06-15
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
8DHY
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N-terminal fragment of MsbA fused to GFP in complex with copper(II)
分子名称: COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein
著者Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A.
登録日2022-06-28
公開日2022-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
7LD7
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G150A Pseudomonas fluorescens isocyanide hydratase (G150A-2) at 274K, Phenix-refined
分子名称: Isonitrile hydratase InhA
著者Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A.
登録日2021-01-12
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
8CZM
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Crystal Structure of EcDsbA in a complex with 4-bromo-1H-pyrazole
分子名称: 4-bromo-1H-pyrazole, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-25
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
7LDI
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G150T Pseudomonas fluorescens isocyanide hydratase (G150T-2) at 274K, Phenix-refined
分子名称: Isonitrile hydratase InhA
著者Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A.
登録日2021-01-13
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
8PF5
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Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium
分子名称: 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A.
登録日2023-06-15
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
7QAZ
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Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 - Primer Initiation Complex
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, COBALT (II) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Li, A.W.H, Doherty, A.J.
登録日2021-11-17
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
7LDM
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G150T Pseudomonas fluorescens isocyanide hydratase (G150T-1) at 274K, Phenix-refined
分子名称: Isonitrile hydratase InhA
著者Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A.
登録日2021-01-13
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
8CTH
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BU of 8cth by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex
分子名称: Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
著者Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I.
登録日2022-05-14
公開日2022-12-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
6UFD
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BU of 6ufd by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7)
分子名称: (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Peat, T.S.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
7LF5
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BU of 7lf5 by Molmil
Structure of Hyperglycosylated Human IgG1 Fc (Fc267)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc (Fc267), alpha-L-fucopyranose, ...
著者Fields, J.K, Sundberg, E.J.
登録日2021-01-15
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Silent Antibodies: Generation of Hyperglycosylated FCs to Ablate Effector Functions
To Be Published
8CXD
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BU of 8cxd by Molmil
Crystal Structure of EcDsbA in a complex with phenylmethanol
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, phenylmethanol
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-20
公開日2022-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
7QGS
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BU of 7qgs by Molmil
Crystal structure of p300 CH1 domain in complex with CITIF (a CITED2-HIF-1alpha hybrid)
分子名称: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION
著者Hegedus, Z, Wilson, A.J, Edwards, T.A.
登録日2021-12-10
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
8CZN
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BU of 8czn by Molmil
Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid
分子名称: 1H-pyrrole-3-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-05-25
公開日2022-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
6UCR
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BU of 6ucr by Molmil
Structure of ClpC1-NTD L92S L96P
分子名称: ACETATE ION, Negative regulator of genetic competence ClpC/mecB
著者Abad-Zapatero, C, Wolf, N.M.
登録日2019-09-17
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
7Q8B
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BU of 7q8b by Molmil
Leishmania major actin filament in ADP-Pi state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION, ...
著者Kotila, T, Muniyandi, S, Lappalainen, P, Huiskonen, J.T.
登録日2021-11-11
公開日2022-05-18
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of rapid actin dynamics in the evolutionarily divergent Leishmania parasite.
Nat Commun, 13, 2022
7LBH
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BU of 7lbh by Molmil
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, PHENIX-refined
分子名称: Isonitrile hydratase InhA
著者Su, Z, Dasgupta, M, Poitevin, F, Mathews, I.I, van den Bedem, H, Wall, M.E, Yoon, C.H, Wilson, M.A.
登録日2021-01-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
8DG0
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BU of 8dg0 by Molmil
Crystal Structure of EcDsbA in a complex with Urea
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, UREA
著者Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
登録日2022-06-23
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
7QHO
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BU of 7qho by Molmil
Cytochrome bcc-aa3 supercomplex (respiratory supercomplex III2/IV2) from Corynebacterium glutamicum (as isolated)
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Kao, W.-C, Hunte, C.
登録日2021-12-13
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for safe and efficient energy conversion in a respiratory supercomplex
Nature Communications, 13, 2022
7LBL
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Structure of Human IgG1 Fc
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Fields, J.K, Sundberg, E.J.
登録日2021-01-08
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Silent Antibodies: Generation of Hyperglycosylated FCs to Ablate Effector Functions
To Be Published
8CZQ
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BU of 8czq by Molmil
The crystal structure of MtbTOP1 in complex with both G- and T-segments
分子名称: ACETATE ION, DNA (5'-D(*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*C)-3'), DNA topoisomerase 1, ...
著者Tan, K, Tse-Dinh, Y.-C.
登録日2022-05-25
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The interaction between transport-segment DNA and topoisomerase IA-crystal structure of MtbTOP1 in complex with both G- and T-segments.
Nucleic Acids Res., 51, 2023
8PK8
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Structure of the human mitochondrial iron-sulfur cluster biosynthesis complex during persulfide transfer (persulfide on ISCU2)
分子名称: Acyl carrier protein, Cysteine desulfurase, FE (II) ION, ...
著者Steinhilper, R, Murphy, B.J.
登録日2023-06-26
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Mechanism and structural dynamics of sulfur transfer during de novo [2Fe-2S] cluster assembly on ISCU2.
Nat Commun, 15, 2024

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