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5VIX
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Crystal structure of Polyubiquitin with 3 ub domains, domains 1 and 2, from Naegleria fowleri ATCC 30863
分子名称: NITRATE ION, Polyubiquitin
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of polyubiquitin with 3 ub domains, domains 1 and 2, from Naegleria fowleri ATCC 30863
TO BE PUBLISHED
5VJM
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BU of 5vjm by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9) with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2017-04-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.909 Å)
主引用文献Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
5W1V
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BU of 5w1v by Molmil
Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex
分子名称: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ...
著者Gras, S, Walpole, N, Farenc, C, Rossjohn, J.
登録日2017-06-04
公開日2017-10-04
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
5W2P
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Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7QTZ
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Crystal structure of Iripin-1 serpin from tick Ixodes ricinus
分子名称: MAGNESIUM ION, Putative salivary serpin
著者Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules.
Front Immunol, 14, 2023
5VMQ
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STRUCTURE OF THE R105A MUTANT CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE AT 2.0-A RESOLUTION
分子名称: Aspartate carbamoyltransferase, CALCIUM ION, CHLORIDE ION
著者Beernink, P.T, Endrizzi, J.A.
登録日2017-04-28
公開日2017-05-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Charge neutralization in the active site of the catalytic trimer of aspartate transcarbamoylase promotes diverse structural changes.
Protein Sci., 26, 2017
5VMB
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Crystal structure of a glycine hydroxymethyltransferase from Acinetobacter baumannii
分子名称: Serine hydroxymethyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-27
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a glycine hydroxymethyltransferase from Acinetobacter baumannii
To Be Published
5VH1
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Crystal Structure of Chicken Gamma S Crystallin
分子名称: Gamma S-crystallin
著者Sagar, V, Wistow, G.
登録日2017-04-12
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Chicken gamma S-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the beta gamma-Crystallins.
Structure, 25, 2017
5VP8
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I38T mutant of 2009 H1N1 PA Endonuclease
分子名称: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-04
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
5VJ0
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BU of 5vj0 by Molmil
Crystal Structure of heme-containing DyP Type Peroxidase from Enterobacter lignolyticus
分子名称: Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE
著者Meekins, D.A, Li, P, Geisbrecht, B.V.
登録日2017-04-17
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mechanistic Insights into Dye-Decolorizing Peroxidase Revealed by Solvent Isotope and Viscosity Effects.
ACS Catal, 7, 2017
5VPB
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Transcription factor FosB/JunD bZIP domain in its oxidized form, type-I crystal
分子名称: CHLORIDE ION, Protein fosB, Transcription factor jun-D
著者Yin, Z, Machius, M, Rudenko, G.
登録日2017-05-04
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
1M4G
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BU of 1m4g by Molmil
Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Ribostamycin
分子名称: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Aminoglycoside 2'-N-acetyltransferase, COENZYME A, ...
著者Vetting, M.W, Hegde, S.S, Javid-Majd, F, Blanchard, J.S, Roderick, S.L.
登録日2002-07-02
公開日2002-08-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates.
Nat.Struct.Biol., 9, 2002
5VPI
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BU of 5vpi by Molmil
Crystal structure of human KRAS G12A mutant in complex with GTP
分子名称: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-05
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VKB
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BU of 5vkb by Molmil
Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and argininamide
分子名称: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININEAMIDE, ...
著者Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
登録日2017-04-21
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.139 Å)
主引用文献Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5VN5
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BU of 5vn5 by Molmil
Crystal structure of LigY from Sphingobium sp. strain SYK-6
分子名称: 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, CHLORIDE ION, ZINC ION
著者Kuatsjah, E, Chan, A.C.K, Kobylarz, M.J, Murphy, M.E.P, Eltis, L.D.
登録日2017-04-28
公開日2017-09-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The bacterialmeta-cleavage hydrolase LigY belongs to the amidohydrolase superfamily, not to the alpha / beta-hydrolase superfamily.
J. Biol. Chem., 292, 2017
6DXX
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BU of 6dxx by Molmil
Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100
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, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ...
著者Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
登録日2018-07-01
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VO1
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DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
4OLG
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BU of 4olg by Molmil
Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid
分子名称: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Shoichet, B.K, Barelier, S.
登録日2014-01-23
公開日2014-05-28
最終更新日2014-06-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
7QVL
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OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
分子名称: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
5VWO
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Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)
分子名称: (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
著者Mascarenhas, R, Liu, D, Le, H, Silverman, R.
登録日2017-05-22
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
2FUE
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Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
分子名称: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
著者Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2006-01-26
公開日2006-03-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
5VXG
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Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VCY
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CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB
分子名称: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, DI(HYDROXYETHYL)ETHER, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
6Z6G
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Cryo-EM structure of La Crosse virus polymerase at pre-initiation stage
分子名称: 3'vRNA 1-16, 5'vRNA 1-10, 5'vRNA 9-16, ...
著者Arragain, B, Effantin, G, Gerlach, P, Reguera, J, Schoehn, G, Cusack, S, Malet, H.
登録日2020-05-28
公開日2020-07-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Pre-initiation and elongation structures of full-length La Crosse virus polymerase reveal functionally important conformational changes.
Nat Commun, 11, 2020
5VD8
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Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue
分子名称: 1,2-ETHANEDIOL, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
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 Wee family kinase inhibition by small molecules
to be published

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