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5NDC
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BU of 5ndc by Molmil
Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide IIA, ...
著者Andersson, R, Safari, C, Dods, R, Nango, E, Tanaka, R, Nakane, T, Tono, K, Joti, Y, Bath, P, Dunevall, E, Bosman, E, Nureki, O, Iwata, S, Neutze, R, Branden, G.
登録日2017-03-08
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature.
Sci Rep, 7, 2017
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
3ATP
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BU of 3atp by Molmil
Structure of the ligand binding domain of the bacterial serine chemoreceptor Tsr with ligand
分子名称: Methyl-accepting chemotaxis protein I, SERINE
著者Tajima, H, Sakuma, M, Homma, K, Kawagishi, I, Imada, K.
登録日2011-01-07
公開日2011-10-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand specificity determined by differentially arranged common ligand-binding residues in bacterial amino acid chemoreceptors Tsr and Tar.
J.Biol.Chem., 286, 2011
1S4U
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BU of 1s4u by Molmil
Crystal Structure analysis of the beta-propeller protein Ski8p
分子名称: Antiviral protein SKI8
著者Cheng, Z, Song, H.
登録日2004-01-18
公開日2004-12-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Ski8p, a WD-repeat protein with dual roles in mRNA metabolism and meiotic recombination
Protein Sci., 13, 2004
8CZP
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BU of 8czp by Molmil
2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
分子名称: ACETATE ION, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Li, J, Liu, A.
登録日2022-05-25
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
To Be Published
5DF0
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BU of 5df0 by Molmil
Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE
分子名称: (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, ...
著者Mou, T.-C, Sprang, S.R.
登録日2015-08-26
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.251 Å)
主引用文献Crystal structure of AcMNPV Chitinase A
To Be Published
3SQW
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BU of 3sqw by Molmil
Structure of Mss116p (NTE deletion) bound to ssRNA and AMP-PNP
分子名称: ATP-dependent RNA helicase MSS116, mitochondrial, MAGNESIUM ION, ...
著者Del Campo, M, Lambowitz, A.M.
登録日2011-07-06
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献High-Throughput Genetic Identification of Functionally Important Regions of the Yeast DEAD-Box Protein Mss116p.
J.Mol.Biol., 413, 2011
5YQH
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BU of 5yqh by Molmil
The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
分子名称: 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ...
著者Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T.
登録日2017-11-06
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published
8ANC
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BU of 8anc by Molmil
14-3-3 sigma sirtuin-3 phospho-peptide complex
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Weyand, M, Steegborn, C, Debbert, L.
登録日2022-08-05
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献14-3-3 sigma sirtuin-3 phospho-peptide complex
To Be Published
8ASL
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BU of 8asl by Molmil
RCII/PSI complex, class 2
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J.
登録日2022-08-19
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
7JSA
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BU of 7jsa by Molmil
Crystal structure of the DNA binding domain of human transcription factor ERF in the reduced 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 (2.85 Å)
主引用文献Structural Insight into the DNA Binding Function of Transcription Factor ERF.
Biochemistry, 2020
5IIH
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BU of 5iih by Molmil
Crystal structure of Equine Serum Albumin in the presence of 2.5 mM zinc at pH 7.4
分子名称: SULFATE ION, Serum albumin, ZINC ION
著者Handing, K.B, Shabalin, I.G, Cooper, D.R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2016-03-01
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016
6VSS
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BU of 6vss by Molmil
Arginase from Medicago truncatula
分子名称: Arginase, MANGANESE (II) ION
著者Sekula, B.
登録日2020-02-11
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Neighboring Subunit Is Engaged to Stabilize the Substrate in the Active Site of Plant Arginases.
Front Plant Sci, 11, 2020
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
6W0S
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BU of 6w0s by Molmil
Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
分子名称: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
著者Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
登録日2020-03-02
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
3P9T
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BU of 3p9t by Molmil
SmeT-Triclosan complex
分子名称: Repressor, SULFATE ION, TRICLOSAN
著者Hernandez, A, Ruiz, F.M, Romero, A, Martinez, J.L.
登録日2010-10-18
公開日2011-08-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The Binding of Triclosan to SmeT, the Repressor of the Multidrug Efflux Pump SmeDEF, Induces Antibiotic Resistance in Stenotrophomonas maltophilia.
Plos Pathog., 7, 2011
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
5UXF
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BU of 5uxf by Molmil
Crystal Structure of mouse RECON (AKR1C13) in complex with Cyclic di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Dihydrodiol dehydrogenase
著者Luo, S, Tong, L.
登録日2017-02-22
公開日2017-04-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Sensing of Bacterial Cyclic Dinucleotides by the Oxidoreductase RECON Promotes NF-kappa B Activation and Shapes a Proinflammatory Antibacterial State.
Immunity, 46, 2017
8RB6
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BU of 8rb6 by Molmil
Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A
分子名称: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ...
著者Frydenvang, K, Mirza, O.A.
登録日2023-12-03
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
8QZE
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BU of 8qze by Molmil
Heme-domain BM3 variant 21B3_F87V-A328F
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
著者Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
登録日2023-10-27
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024
5UZX
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BU of 5uzx by Molmil
Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia multivorans with bound NADP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-02-27
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia multivorans with bound NADP
to be published
5V04
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BU of 5v04 by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (rII)
分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
著者Shi, Y, Beese, L.S.
登録日2017-02-28
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7K1N
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BU of 7k1n by Molmil
CryoEM structure of inactivated-form DNA-PK (Complex V)
分子名称: DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(P*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2020-09-08
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
8JZJ
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BU of 8jzj by Molmil
E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION
著者Jang, K, Hlaing, S.H.S, Kim, H.G, Kim, N, Choe, H.W, Kim, Y.J.
登録日2023-07-05
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献E.coli Glyceraldehyde-3-phosphate dehydrogenase structure under cryoprotect condition of ammonium sulfate
To Be Published
5V0A
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BU of 5v0a by Molmil
Crystal structure of human exonuclease 1 Exo1 (D225A) in complex with 5' recessed-end DNA (rVIII)
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), ...
著者Shi, Y, Beese, L.S.
登録日2017-02-28
公開日2017-05-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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