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7MJT
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KcsA open gate E71V mutant with Barium
分子名称: BARIUM ION, Fab heavy chain, Fab light chain, ...
著者Rohaim, A, Li, J, Weingarth, M, Roux, B.
登録日2021-04-20
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
7M56
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Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2021-03-22
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.957 Å)
主引用文献Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens
To be published
5V3A
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Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases
分子名称: Acyl-CoA hydrolase, COENZYME A, GUANOSINE-5'-DIPHOSPHATE
著者Khandokar, Y.B, Srivastava, P, Forwood, J.K.
登録日2017-03-06
公開日2017-05-24
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
5G6L
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Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
6DVB
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BU of 6dvb by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2018-06-23
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
5V3N
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BU of 5v3n by Molmil
Structure of S. cerevisiae Ulp2-Tof2-Csm1 complex
分子名称: Monopolin complex subunit CSM1, Ulp2p,Topoisomerase 1-associated factor 2 chimera
著者SIngh, N, Corbett, K.D.
登録日2017-03-07
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Recruitment of a SUMO isopeptidase to rDNA stabilizes silencing complexes by opposing SUMO targeted ubiquitin ligase activity.
Genes Dev., 31, 2017
6DEY
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BU of 6dey by Molmil
Aspartylglucosaminuria mutant structure and function
分子名称: Glycosylasparaginase, residues 188-331, residues 38-178
著者Pande, S, Laksminarasimhan, D, Guo, H.C.
登録日2018-05-13
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Biochemical and structural insights into an allelic variant causing the lysosomal storage disorder - aspartylglucosaminuria.
FEBS Lett., 592, 2018
6K6M
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Crystal structure of HIV-2 Nef protein
分子名称: Protein Nef
著者Hirao, K, Andrews, S, Kuroki, K, Kusaka, H, Tadokoro, T, Kita, S, Ose, T, Rowland-Jones, S, Maenaka, K.
登録日2019-06-04
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献Structure of HIV-2 Nef Reveals Features Distinct from HIV-1 Involved in Immune Regulation.
Iscience, 23, 2020
5G51
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High resolution structure of the part of VP3 protein of Deformed Wing Virus forming P-domain
分子名称: DWV-VP3-P-DOMAIN
著者Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
登録日2016-05-18
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6K7Q
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Crystal structure of thymidylate synthase from shrimp
分子名称: SULFATE ION, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6KGP
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LSD1-S2157 N5 adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
7MHC
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BU of 7mhc by Molmil
Structure of human STING in complex with MK-1454
分子名称: (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Lesburg, C.A.
登録日2021-04-15
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A kinase-cGAS cascade to synthesize a therapeutic STING activator.
Nature, 603, 2022
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
5V6J
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BU of 5v6j by Molmil
Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3
著者Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
登録日2017-03-16
公開日2017-08-16
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5H6V
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BU of 5h6v by Molmil
Structure of Zika virus protease in complex with a dipeptide inhibitor
分子名称: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, Genome polyprotein
著者Zhang, Z, Chen, M.
登録日2016-11-15
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.422 Å)
主引用文献Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors
Structure, 25, 2017
7MSK
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BU of 7msk by Molmil
ThuS glycosin S-glycosyltransferase
分子名称: Glyco_trans_2-like domain-containing protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
著者Garg, N, Nair, S.K.
登録日2021-05-11
公開日2022-04-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
5UI9
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BU of 5ui9 by Molmil
Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium
分子名称: (2S)-2,3-dihydroxy-2-methylpropanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C.
登録日2017-01-13
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium
To be published
6KK4
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BU of 6kk4 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 9
分子名称: 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine, GLYCEROL, NS3 protease, ...
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
5H88
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BU of 5h88 by Molmil
Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V
分子名称: mRojoA fluorescent protein
著者Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
登録日2015-12-23
公開日2016-01-27
最終更新日2016-03-02
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
7MFS
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N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with substrate and product bound
分子名称: CHLORIDE ION, N-acetyl-D-glucosamine-6-phosphate, N-acetylmannosamine-6-phosphate, ...
著者Currie, M.J, Dobson, R.C.J.
登録日2021-04-11
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
7MFN
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N-Acetylmannosamine-6-phosphate 2-epimerase E180A from Staphylococcus aureus (strain MRSA USA300)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Currie, M.J, Dobson, R.C.J.
登録日2021-04-10
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
分子名称: ACETATE ION, Beta-lactamase, CHLORIDE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5UQ9
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Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
著者Leonard, P.G.
登録日2017-02-07
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
7MQT
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BU of 7mqt by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300) with 5-deoxy substrate bound
分子名称: 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose, CHLORIDE ION, CITRIC ACID, ...
著者Currie, M.J, Dobson, R.C.J.
登録日2021-05-06
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
6DKT
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Crystal structure of Arginase from Bacillus subtilis
分子名称: Arginase, MANGANESE (II) ION
著者Lewis, M.C, Hollingsworth, S.A, Holden, J.K, Poulos, T.L.
登録日2018-05-30
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure of Arginase from Bacillus subtilis at 2.08 Angstroms resolution
To Be Published

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件を2024-08-28に公開中

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