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PDB: 2886 件

4MAB
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Resolving Cys to Ala variant of Salmonella Alkyl Hydroperoxide Reductase C in its substrate-ready conformation
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, GLYCEROL, ...
著者Perkins, A, Nelson, K.J, Williams, J.R, Poole, L.B, Karplus, P.A.
登録日2013-08-15
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The sensitive balance between the fully folded and locally unfolded conformations of a model peroxiredoxin.
Biochemistry, 52, 2013
6WIA
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BU of 6wia by Molmil
CRYSTAL STRUCTURE OF HUMAN PROTECTIVE PROTEIN/CATHEPSIN A, DFP-INHIBITED (AGED)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CADMIUM ION, ...
著者Compton, J.R, Legler, P.M.
登録日2020-04-09
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural and kinetic evidence of aging after organophosphate inhibition of human Cathepsin A.
Biochem. Pharmacol., 177, 2020
4FF9
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Crystal Structure of cysteinylated WT SOD1.
分子名称: COPPER (II) ION, CYSTEINE, Superoxide dismutase [Cu-Zn], ...
著者Auclair, J.R, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Petsko, G.A, Agar, J.N.
登録日2012-05-31
公開日2013-09-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5003 Å)
主引用文献Structural consequences of cysteinylation of cu/zn-superoxide dismutase.
Biochemistry, 52, 2013
4LT1
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HEWL co-crystallised with Carboplatin in non-NaCl conditions: crystal 1 processed using the XDS software package
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R.
登録日2013-07-23
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Carboplatin binding to a model protein in non-NaCl conditions to eliminate partial conversion to cisplatin, and the use of different criteria to choose the resolution limit
To be Published
5BQN
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BU of 5bqn by Molmil
Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Botulinum neurotoxin type D,Botulinum neurotoxin type D
著者Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R.
登録日2015-05-29
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors.
Sci Rep, 5, 2015
5BKE
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Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine
分子名称: Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5F7X
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Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Tubercidin
分子名称: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-08
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
5FRF
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Solution structure of reduced and zinc-bound RsrA
分子名称: ANTI-SIGMA FACTOR RSRA, ZINC ION
著者Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C.
登録日2015-12-17
公開日2016-08-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core.
Nat.Commun., 7, 2016
5FUR
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BU of 5fur by Molmil
Structure of human TFIID-IIA bound to core promoter DNA
分子名称: SUPER CORE PROMOTER, TATA-BOX-BINDING PROTEIN, TRANSCRIPTION INITIATION FACTOR IIA SUBUNIT 1, ...
著者Louder, R.K, He, Y, Lopez-Blanco, J.R, Fang, J, Chacon, P, Nogales, E.
登録日2016-01-29
公開日2016-04-06
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Structure of Promoter-Bound TFIID and Model of Human Pre-Initiation Complex Assembly.
Nature, 531, 2016
4MNE
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BU of 4mne by Molmil
Crystal structure of the BRAF:MEK1 complex
分子名称: 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G.
登録日2013-09-10
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8483 Å)
主引用文献Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
6WE9
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BU of 6we9 by Molmil
YTH domain of human YTHDC1 with 11mer ssDNA Containing N6mA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*CP*TP*G)-3'), GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2020-04-01
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
6WF6
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Streptomyces coelicolor methylmalonyl-CoA epimerase
分子名称: COBALT (II) ION, DI(HYDROXYETHYL)ETHER, Methylmalonyl-CoA epimerase
著者Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
6WFH
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BU of 6wfh by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex
分子名称: (3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name), CHLORIDE ION, COBALT (II) ION, ...
著者Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
5BKD
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BU of 5bkd by Molmil
Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
4K8I
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BU of 4k8i by Molmil
Crystal Structure of Staphylococcal Nuclease mutant I92V/V99L
分子名称: Thermonuclease
著者Sanders, J.M, Latimer, E.C, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E.
登録日2013-04-18
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophobic core mutants of Staphylococcal nuclease
To be Published
5DJ8
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BU of 5dj8 by Molmil
Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I
分子名称: Fc-III peptide, 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)-[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Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJC
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Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F
分子名称: Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ...
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJ6
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Fc Heterodimer Design 6.1 F405W/Y407A + T366M
分子名称: Fc-III peptide, 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)-[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Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5GTI
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BU of 5gti by Molmil
Native XFEL structure of photosystem II (two flash dataset)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5H2F
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Crystal structure of the PsbM-deletion mutant of photosystem II
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N.
登録日2016-10-15
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II.
Faraday Discuss., 198, 2017
4H1N
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Crystal Structure of P450 2B4 F297A Mutant in Complex with Anti-platelet Drug Clopidogrel
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Clopidogrel, Cytochrome P450 2B4, ...
著者Shah, M.B, Jang, H.H, Stout, C.D, Halpert, J.R.
登録日2012-09-10
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献X-ray crystal structure of the cytochrome P450 2B4 active site mutant F297A in complex with clopidogrel: Insights into compensatory rearrangements of the binding pocket.
Arch.Biochem.Biophys., 530, 2013
5HNK
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Crystal structure of T5Fen in complex intact substrate and metal ions.
分子名称: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
著者Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
登録日2016-01-18
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5H9M
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Crystal structure of siah2 SBD domain
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase SIAH2, PENTAETHYLENE GLYCOL, ...
著者Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2015-12-28
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Crystal structure of siah2 SBD domain
to be published
4K07
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Crystal structure of the amyloid-forming immunoglobulin AL-103 cis-proline 95 mutant
分子名称: Amyloidogenic immunoglobulin light chain protein AL-103, SULFATE ION
著者Thompson, J.R, Berkholz, D.S, Mahlum, E.W, Ramirez-Alvarado, M.
登録日2013-04-03
公開日2013-10-30
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Kinetic control in protein folding for light chain amyloidosis and the differential effects of somatic mutations.
J.Mol.Biol., 426, 2014
4HXY
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PlmKR1-Ketoreductase from the first module of phoslactomycin biosynthesis in Streptomyces sp. HK803
分子名称: 6-AMINOHEXANOIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Plm1
著者Whicher, J.R, Smith, J.L.
登録日2012-11-12
公開日2013-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Stereochemical Analysis of a Modular Polyketide Synthase Ketoreductase Domain Required for the Generation of a cis-Alkene.
Chem.Biol., 20, 2013

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