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5WUN
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Crystal structure of mouse importin-alpha1 bound to non-phosphorylated NLS of EBNA1
分子名称: Epstein-Barr nuclear antigen 1, Importin subunit alpha-1
著者Nakada, R, Hirano, H, Matsuura, Y.
登録日2016-12-19
公開日2017-01-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the regulation of nuclear import of Epstein-Barr virus nuclear antigen 1 (EBNA1) by phosphorylation of the nuclear localization signal.
Biochem. Biophys. Res. Commun., 484, 2017
5IQC
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BU of 5iqc by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Gentamicin C1
分子名称: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2016-03-10
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5WIZ
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BU of 5wiz by Molmil
Phosphotriesterase variant S5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-07-21
公開日2019-01-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Phosphotriesterase variant S5
To Be Published
5IME
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Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
分子名称: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Li, D, Wang, W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
5IRB
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BU of 5irb by Molmil
Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Guo, S, Phippen, S, Campbell, R, Davies, P.
登録日2016-03-12
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
6KRZ
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BU of 6krz by Molmil
Crystal structure of the human adiponectin receptor 1 D208A mutant
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 1, OLEIC ACID, ...
著者Tanabe, H, Fujii, Y, Okada-Iwabu, M, Iwabu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S.
登録日2019-08-22
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Human adiponectin receptor AdipoR1 assumes closed and open structures.
Commun Biol, 3, 2020
6KOC
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BU of 6koc by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
分子名称: 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
著者Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
5X1J
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Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
6KP0
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Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine
分子名称: ARGININE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
分子名称: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
6KQU
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Crystal structure of phospholipase A2
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Hou, S, Xu, T, Liu, J.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
著者Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
登録日2017-07-05
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
6KPQ
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Crystal structure of Zika NS2B-NS3 protease with compound 8
分子名称: 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-08-15
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.62 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
5I33
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BU of 5i33 by Molmil
Unligated adenylosuccinate synthetase from Cryptococcus neoformans
分子名称: Adenylosuccinate synthetase
著者Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B.
登録日2016-02-09
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
6KRU
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BU of 6kru by Molmil
Crystal structure of mouse IgG2b Fc
分子名称: Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-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Taniguchi, Y, Satoh, T, Yagi, H, Kato, K.
登録日2019-08-22
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
6KSG
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Vibrio cholerae Methionine Aminopeptidase in holo form
分子名称: GLYCEROL, Methionine aminopeptidase, NICKEL (II) ION, ...
著者Pillalamarri, V, Addlagatta, A.
登録日2019-08-23
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
Eur.J.Med.Chem., 209, 2020
6KSN
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BU of 6ksn by Molmil
Structure of a Zn-bound camelid single domain antibody
分子名称: 1,2-ETHANEDIOL, ICab3, SODIUM ION, ...
著者Kumar, S, Athreya, A, Penmatsa, A.
登録日2019-08-24
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Isolation and structural characterization of a Zn2+-bound single-domain antibody against NorC, a putative multidrug efflux transporter in bacteria.
J.Biol.Chem., 295, 2020
6KRP
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BU of 6krp by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) 0Cys W88A mutant
分子名称: CITRIC ACID, Peroxiredoxin
著者Himiyama, T, Nakamura, T.
登録日2019-08-22
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Disassembly of the ring-type decameric structure of peroxiredoxin from Aeropyrum pernix K1 by amino acid mutation.
Protein Sci., 29, 2020
6KTH
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Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori
分子名称: CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase
著者Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C.
登録日2019-08-28
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori.
Int.J.Biol.Macromol., 167, 2021
6KSD
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Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, SULFATE ION
著者Ramachandran, R, Shukla, A, Afsar, M.
登録日2019-08-23
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SULFATE ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUU
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Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
5I7O
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BU of 5i7o by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 7 [3-(3-(4-Chlorophenyl)ureido)benzoic acid]
分子名称: 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
著者Schnell, R, Maric, S, Schneider, G.
登録日2016-02-18
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
6KUZ
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E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01
分子名称: 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J.
登録日2019-09-03
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
6KUF
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Crystal structure of barley exohydrolaseI W434A mutant in complex with glucose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-09-02
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022

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