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6X71
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Rev1 Mg2+-facilitated Intermediate complex with reactant dCTP and product dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*(MG))-3'), ...
著者Weaver, T.M, Freudenthal, B.D.
登録日2020-05-29
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Visualizing Rev1 catalyze protein-template DNA synthesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
7MHD
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BU of 7mhd by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
分子名称: Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
著者Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
登録日2021-04-15
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
3VGX
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BU of 3vgx by Molmil
Structure of gp41 T21/Cp621-652
分子名称: ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2011-08-22
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652.
J.Biol.Chem., 287, 2012
4GID
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BU of 4gid by Molmil
Structure of beta-secretase complexed with inhibitor
分子名称: Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S.
登録日2012-08-08
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
7MHA
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BU of 7mha by Molmil
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; W252V mutant
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Boxer, S.G, Mathews, I.I, Weaver, J.B.
登録日2021-04-14
公開日2022-04-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Photosynthetic reaction center variants made via genetic code expansion indicate tyrosine at M210 tunes the mechanism for primary electron transfer
Thesis Ph.D. Stanford University, 2022
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
分子名称: IODIDE ION, capsid protein
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2021-04-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MKV
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BU of 7mkv by Molmil
Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine
分子名称: Cysteine desulfurase-like protein ustD
著者Ellis, J.M, Buller, A.R, Bingman, C.A.
登録日2021-04-27
公開日2022-05-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Biocatalytic synthesis of non-standard amino acids by a decarboxylative aldol reaction
Nat Catal, 5, 2022
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-04-23
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MMQ
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BU of 7mmq by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta-NrdI complex from Aerococcus urinae in Reduced Hydroquinone Form
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Protein NrdI, ...
著者Palowitch, G.M, Boal, A.K.
登録日2021-04-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ribonucleotide Reductase
To be published
5KHZ
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BU of 5khz by Molmil
PSEUDO T4 LYSOZYME
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
7MP4
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BU of 7mp4 by Molmil
Crystal structure of Epiphyas postvittana antennal carboxylesterase 24
分子名称: Carboxylesterase-24, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hamiaux, C, Carraher, C.
登録日2021-05-04
公開日2022-05-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of an antennally-expressed carboxylesterase suggests lepidopteran odorant degrading enzymes are broadly tuned
Curr Res Insect Sci, 3, 2023
7MQP
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BU of 7mqp by Molmil
E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
分子名称: 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase, SULFATE ION
著者Lombardo, M.N, Wright, D.L.
登録日2021-05-06
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7MRI
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BU of 7mri by Molmil
Crystal structure of N63T yeast iso-1-cytochrome c
分子名称: Cytochrome c isoform 1, HEME C
著者Lei, H, Bowler, B.E, Evenson, G.E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c.
J.Inorg.Biochem., 232, 2022
5K0W
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BU of 5k0w by Molmil
Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica
分子名称: CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ...
著者Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J.
登録日2016-05-17
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
7MW8
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BU of 7mw8 by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
分子名称: Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION, pApG
著者Fernandez, D, Li, L, Brown, J.A.
登録日2021-05-15
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
4G0M
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BU of 4g0m by Molmil
Crystal structure of Arabidopsis thaliana AGO2 MID domain
分子名称: Protein argonaute 2, SULFATE ION
著者Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
登録日2012-07-09
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
4G0Q
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BU of 4g0q by Molmil
Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Protein argonaute 1
著者Frank, F, Hauver, J, Sonenberg, N, Nagar, B.
登録日2012-07-09
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
5JV2
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BU of 5jv2 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055
分子名称: CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ...
著者Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-05-10
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
1I1P
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BU of 1i1p by Molmil
REFINEMENT INCLUDING EXPERIMENTAL MAD PHASES ALLOWS AN EXHAUSTIVE STUDY OF ORDERED SOLVENT MOLECULES FOR A PLATINATED DECANUCLEOTIDE
分子名称: 5'-D(*CP*CP*TP*CP*GP*CP*TP*CP*TP*C)-3', 5'-D(*GP*AP*GP*AP*GP*CP*GP*AP*GP*G)-3', Cisplatin, ...
著者Coste, F, Shepard, W, Zelwer, C.
登録日2001-02-02
公開日2002-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Description of ordered solvent molecules in a platinated decanucleotide duplex refined at 1.6A resolution against experimental MAD phases.
Acta Crystallogr.,Sect.D, 58, 2002
3VTP
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BU of 3vtp by Molmil
HIV fusion inhibitor MT-C34
分子名称: Transmembrane protein gp41
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2012-06-02
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
7MJC
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BU of 7mjc by Molmil
Crystal Structure Analysis of ALDH1B1
分子名称: Aldehyde dehydrogenase X, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Fernandez, D, Chen, J.K.
登録日2021-04-20
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Inhibitors targeted to aldehyde dehydrogenase
Nat.Chem.Biol., 2022
7MJD
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BU of 7mjd by Molmil
Crystal Structure Analysis of ALDH1B1
分子名称: 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene, Aldehyde dehydrogenase X, mitochondrial, ...
著者Fernandez, D, Chen, J.K.
登録日2021-04-20
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Inhibitors targeted to aldehyde dehydrogenase
Nat.Chem.Biol., 2022
1O1E
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BU of 1o1e by Molmil
MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE
分子名称: SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ...
著者Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A.
登録日2002-11-19
公開日2002-12-04
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (70 Å)
主引用文献Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.Struct.Biol., 138, 2002
5K1Z
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BU of 5k1z by Molmil
Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2016-05-18
公開日2016-11-16
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6XMA
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BU of 6xma by Molmil
Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6
分子名称: Dioxygenase, FE (III) ION, SULFATE ION
著者Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
登録日2020-06-29
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021

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件を2024-08-21に公開中

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