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5Y5I
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Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
8DHF
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DHODH IN COMPLEX WITH LIGAND 11
分子名称: (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2022-06-27
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
7JSL
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Crystal structure of the DNA binding domain of human transcription factor ERF in the oxidized form, in complex with double-stranded DNA ACCGGAAGTG
分子名称: DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ETS domain-containing transcription factor ERF
著者Hou, C, Tsodikov, O.V.
登録日2020-08-14
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.51 Å)
主引用文献Structural Insight into the DNA Binding Function of Transcription Factor ERF.
Biochemistry, 2020
6V6Y
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Crystal Structure of T. thermophilus methylenetetrahydrofolate dehydrogenase (MTHFD)
分子名称: Bifunctional protein FolD, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Maiello, F, Coelho, C, Gallo, G, Sucharski, F, Hardy, L, Wurtele, M.
登録日2019-12-06
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15201569 Å)
主引用文献Crystal structure of Thermus thermophilus methylenetetrahydrofolate dehydrogenase and determinants of thermostability.
Plos One, 15, 2020
6V7N
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Crystal Structure of a human Lysosome Resident Glycoprotein, Lysosomal Acid Lipase, and its Implications in Cholesteryl Ester Storage Disease (CESD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid lipase/cholesteryl ester hydrolase, ...
著者Han, S.
登録日2019-12-09
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of human lysosomal acid lipase and its implications in cholesteryl ester storage disease.
J.Lipid Res., 61, 2020
8J8X
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Crystal structure of AtHPPD-YH20307 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2023-05-02
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Crystal structure of AtHPPD-YH20307 complex
To Be Published
5AHS
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3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA
分子名称: ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
登録日2015-02-06
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
2YNN
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yeast betaprime COP 1-304 with KTKTN motif
分子名称: COATOMER SUBUNIT BETA', KTKTN MOTIF, SULFATE ION
著者Jackson, L.P, Lewis, M, Kent, H.M, Edeling, M.A, Evans, P.R, Duden, R, Owen, D.J.
登録日2012-10-17
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Molecular Basis for Recognition of Dilysine Trafficking Motifs by Copi.
Dev.Cell, 23, 2012
7JWS
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Crystal structure of human ALDH1A1 bound to compound (R)-28
分子名称: 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ...
著者Hurley, T.D, Buchman, C.
登録日2020-08-26
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Eur.J.Med.Chem., 211, 2020
8J8G
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Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and cidofovir diphosphate
分子名称: CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*CP*TP*TP*AP*AP*TP*CP*TP*CP*AP*CP*AP*TP*AP*GP*CP*AP*GP*CP*T)-3'), ...
著者Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C.
登録日2023-05-01
公開日2024-05-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir.
Int.J.Biol.Macromol., 270, 2024
3S5I
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Crystal structures of falcilysin, a M16 metalloprotease from the malaria parasite Plasmodium falciparum
分子名称: Falcilysin
著者Morgunova, E, Ponpuak, M, Istvan, E, Popov, A, Goldberg, D, Eneqvist, T.
登録日2011-05-23
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献Crystal structures of falcilysin, a M16 metalloprotease from the malaria parasite Plasmodium falciparum
To be Published
2YPL
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BU of 2ypl by Molmil
Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms
分子名称: AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ...
著者Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M.
登録日2012-10-30
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms.
Proc.Natl.Acad.Sci.USA, 109, 2012
6V7C
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Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3
分子名称: Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)
著者Palte, R.L.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
7ZHL
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Salmonella enterica Rhs1 C-terminal toxin TreTu
分子名称: RHS repeat protein, ZINC ION
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
7ZHM
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Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein
分子名称: Immunity protein TriTu, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rhs1 protein, ...
著者Jurenas, D, Rey, M, Chamot-Rooke, J, Terradot, L, Cascales, E.
登録日2022-04-06
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop.
Nucleic Acids Res., 50, 2022
7ZMW
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BU of 7zmw by Molmil
14-3-3s binding to non-natural peptide 2c
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 1
著者Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
登録日2022-04-19
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
5YHJ
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Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid
分子名称: Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE
著者Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2017-09-28
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids
Catalysis Science And Technology, 2017
6V89
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Human CtBP1 (28-375) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E.
登録日2019-12-10
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
7K1K
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CryoEM structure of inactivated-form DNA-PK (Complex IV)
分子名称: DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ...
著者Chen, X, Gellert, M, Yang, W.
登録日2020-09-07
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
5YE7
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The crystal structure of Lp-PLA2 in complex with a novel inhibitor
分子名称: N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
著者Liu, Q.F, Xu, Y.C.
登録日2017-09-15
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
6VBY
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Cinnamate 4-hydroxylase (C4H1) from Sorghum bicolor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cinnamic acid 4-hydroxylase, GLYCEROL, ...
著者Zhang, B, Kang, C, Lewis, K.M.
登録日2019-12-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function of the Cytochrome P450 Monooxygenase Cinnamate 4-hydroxylase fromSorghum bicolor.
Plant Physiol., 183, 2020
7K4P
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Crystal structure of Kemp Eliminase HG3
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7ZKP
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Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ...
著者Schiller, J, Laube, E, Vonck, J, Zickermann, V.
登録日2022-04-13
公開日2022-11-23
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
2Y89
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE A (VARIANT D11N)
分子名称: PHOSPHORIBOSYL ISOMERASE A, SULFATE ION
著者Due, A.V, Kuper, J, Geerlof, A, Wilmanns, M.
登録日2011-02-03
公開日2011-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase from Mycobacterium Tuberculosis by Active Site Metamorphosis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7K4S
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Crystal structure of Kemp Eliminase HG3.7
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020

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