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7MYA
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BU of 7mya by Molmil
Structure of proline utilization A with the FAD covalently-modified by 1,3-dithiolane
分子名称: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
5V86
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BU of 5v86 by Molmil
Structure of DCN1 bound to NAcM-OPT
分子名称: Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea
著者Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
登録日2017-03-21
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
7MYC
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BU of 7myc by Molmil
Structure of proline utilization A with the FAD covalently modified by tetrahydrothiophene
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
6U76
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BU of 6u76 by Molmil
Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens.
分子名称: methanesulfinate monooxygenase
著者Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P.
登録日2019-08-31
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To be published
To Be Published
6HDH
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BU of 6hdh by Molmil
R49K variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.6 A.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C, Waltho, J.P.
登録日2018-08-17
公開日2020-08-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
5FOW
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BU of 5fow by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH WHTA TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, PHOSPHATE ION, WHTA PEPTIDE
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
6RO5
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BU of 6ro5 by Molmil
1Yr-Y: Lysozyme with Re Cluster 1 year on shelf
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Brink, A, Helliwell, J.R.
登録日2019-05-10
公開日2019-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
6ROK
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BU of 6rok by Molmil
The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor
分子名称: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ...
著者Coste, F, Goffinont, S, Castaing, B.
登録日2019-05-13
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
3OGT
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BU of 3ogt by Molmil
Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3.
分子名称: (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Huet, T, Fraga, R, Mourino, A, Moras, D, Rochel, N.
登録日2010-08-17
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3.
To be Published
3NL7
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BU of 3nl7 by Molmil
Human Hemoglobin A mutant beta H63W carbonmonoxy-form
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Birukou, I, Soman, J, Olson, J.S.
登録日2010-06-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
2V8G
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BU of 2v8g by Molmil
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with the product beta-alanine
分子名称: BETA-ALANINE, BETA-ALANINE SYNTHASE, BICINE, ...
著者Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D.
登録日2007-08-07
公開日2007-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
6RIH
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BU of 6rih by Molmil
Crystal structure of PHGDH in complex with compound 9
分子名称: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-24
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
5UL0
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BU of 5ul0 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
著者Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
登録日2017-01-23
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
8JU7
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BU of 8ju7 by Molmil
Structure of Pseudomonas aeruginosa ParS sensor domain
分子名称: histidine kinase
著者Zhao, N, Zhu, Z, Song, Y, Bao, R.
登録日2023-06-25
公開日2024-01-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Host-derived peptide signals regulate Pseudomonas aeruginosa virulence stress via the ParRS and CprRS two-component systems.
J Hazard Mater, 460, 2023
5UMH
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BU of 5umh by Molmil
Crystal Structure of Catechol 1,2-dioxygenase protein from Burkholderia multivorans
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-01-27
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of Catechol 1,2-dioxygenase protein, from Burkholderia multivorans ATCC 17616
to be published
2VBC
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BU of 2vbc by Molmil
Crystal structure of the NS3 protease-helicase from Dengue virus
分子名称: DENGUE 4 NS3 FULL-LENGTH PROTEIN, PARTIAL POLYPROTEIN FOR NS2A AND NS2B, TYPE 4 PROTOTYPE DV4 H241
著者Luo, D.H, Xu, T, Hunke, C, Gruber, G, Vasudevan, S.G, Lescar, J.
登録日2007-09-10
公開日2007-10-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Crystal Structure of the Ns3 Protease-Helicase from Dengue Virus.
J.Virol., 82, 2008
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
分子名称: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Palczewski, K.
登録日2017-01-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5FYG
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BU of 5fyg by Molmil
Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid
分子名称: 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE
著者Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G.
登録日2016-03-07
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
5FOV
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BU of 5fov by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
2V7P
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BU of 2v7p by Molmil
Crystal structure of lactate dehydrogenase from Thermus Thermophilus HB8 (Holo form)
分子名称: L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
著者Coquelle, N, Fioravanti, E, Weik, M, Vellieux, F.
登録日2007-07-31
公開日2007-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal environments.
J. Mol. Biol., 374, 2007
6VCA
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BU of 6vca by Molmil
TB38 complex
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, 5'-nucleotidase, ...
著者Zhou, Y.F, Lord, D.M.
登録日2019-12-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
分子名称: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6VDE
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BU of 6vde by Molmil
Full-length M. smegmatis Pol1
分子名称: DNA polymerase I, MANGANESE (II) ION
著者Shuman, S, Goldgur, Y, Ghosh, S.
登録日2019-12-24
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.713 Å)
主引用文献Mycobacterial DNA polymerase I: activities and crystal structures of the POL domain as apoenzyme and in complex with a DNA primer-template and of the full-length FEN/EXO-POL enzyme.
Nucleic Acids Res., 48, 2020
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
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Strategy to Select an Appropriate Cryoprotectant for an X-ray Study of Escherichia coli GAPDH Crystals
Cryst.Growth Des., 23, 2023
6RJ2
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BU of 6rj2 by Molmil
Crystal structure of PHGDH in complex with compound 40
分子名称: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019

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