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6XB3
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Structure of AcNPV poxin in post-reactive state with Gp[2'-5']Ap[3']
分子名称: 2',5'-GpAp, Poxin
著者Eaglesham, J.B, McCarty, K.L, Kranzusch, P.J.
登録日2020-06-05
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host-pathogen conflict.
Elife, 9, 2020
7RIL
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BU of 7ril by Molmil
Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG
分子名称: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
5N4T
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BU of 5n4t by Molmil
VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)
分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ...
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2017-02-11
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
8U48
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BU of 8u48 by Molmil
Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate
分子名称: Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J.
登録日2023-09-09
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
7RCB
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BU of 7rcb by Molmil
Crystal Structure of a PMS2 VUS
分子名称: Mismatch repair endonuclease PMS2
著者D'Arcy, B.M, Prakash, A.
登録日2021-07-07
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
6ZE9
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BU of 6ze9 by Molmil
Non-native fold of the putative VPS39 zinc finger domain
分子名称: Vam6/Vps39-like protein, ZINC ION
著者Butt, B.G, Graham, S.C.
登録日2020-06-16
公開日2020-06-24
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Non-native fold of the putative VPS39 zinc finger domain.
Wellcome Open Res, 5, 2020
6Z18
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Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; R32 form
分子名称: RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG
著者Ruszkowski, M, Sekula, B, Mao, S, Haruehanroengra, P, Sheng, J.
登録日2020-05-12
公開日2020-09-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA.
Nucleic Acids Res., 48, 2020
7OUB
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BU of 7oub by Molmil
High resolution structure of Alpha-1-acid glycoprotein bound to potent anti-tumour compound UCN-01
分子名称: 7-HYDROXYSTAUROSPORINE, Alpha-1-acid glycoprotein 2
著者Landin, E.J.B, Williams, C, Crump, M.P.
登録日2021-06-11
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The structural basis for high affinity binding of alpha 1-acid glycoprotein to the potent antitumor compound UCN-01.
J.Biol.Chem., 297, 2021
6ZGF
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BU of 6zgf by Molmil
Spike Protein of RaTG13 Bat Coronavirus in Closed Conformation
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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J.
登録日2020-06-18
公開日2020-07-01
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects.
Nat.Struct.Mol.Biol., 27, 2020
8G3V
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BU of 8g3v by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI19 Fab molecules
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, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6XUB
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BU of 6xub by Molmil
Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme
分子名称: Chlorite dismutase, harderoheme (III)
著者Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S.
登録日2020-01-17
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation.
Acs Catalysis, 10, 2020
6XUT
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BU of 6xut by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form
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, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B.
登録日2020-01-21
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
6Z32
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BU of 6z32 by Molmil
Human cation-independent mannose 6-phosphate/IGF2 receptor domains 7-11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, SULFATE ION, ...
著者Bochel, A.J, Williams, C, McCoy, A.J, Hoppe, H, Winter, A.J, Nicholls, R.D, Harlos, K, Jones, Y.E, Berger, I, Hassan, B, Crump, M.P.
登録日2020-05-19
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9.
Structure, 28, 2020
5NC5
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BU of 5nc5 by Molmil
Crystal structure of AcrBZ in complex with antibiotic puromycin
分子名称: DARPin, DECANE, DODECANE, ...
著者Du, D, Luisi, B.
登録日2017-03-03
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump.
Elife, 6, 2017
6PV4
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BU of 6pv4 by Molmil
Structure of CpGH84A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2019-07-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
5N8L
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BU of 5n8l by Molmil
Structure of TRBP dsRBD 1 and 2 in complex with a 19 bp siRNA (Complex B)
分子名称: RISC-loading complex subunit TARBP2, RNA (5'-R(*GP*UP*AP*CP*GP*GP*AP*AP*UP*AP*GP*AP*UP*AP*AP*UP*UP*AP*AP*UP*U)-3'), RNA (5'-R(*UP*UP*AP*AP*UP*UP*AP*UP*CP*UP*AP*UP*UP*CP*CP*GP*UP*AP*CP*UP*U)-3')
著者Masliah, G, Maris, C, Allain, H.-T.F.
登録日2017-02-23
公開日2018-02-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of siRNA recognition by TRBP double-stranded RNA binding domains.
EMBO J., 37, 2018
6PZ8
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BU of 6pz8 by Molmil
MERS S0 trimer in complex with variable domain of antibody G2
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, G2 heavy chain, ...
著者Bowman, C.A, Pallesen, J, Ward, A.B.
登録日2019-07-31
公開日2019-10-09
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.19 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
7RCH
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BU of 7rch by Molmil
Crystal structure of NS1-ED of Vietnam influenza A virus in complex with the p85-beta-iSH2 domain of human PI3K
分子名称: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
著者Kim, I, Zhao, B, Li, P, Cho, J.H.
登録日2021-07-07
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Energy landscape reshaped by strain-specific mutations underlies epistasis in NS1 evolution of influenza A virus.
Nat Commun, 13, 2022
7AUA
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BU of 7aua by Molmil
Cryo-EM structure of human exostosin-like 3 (EXTL3) in complex with UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ...
著者Wilson, L.F.L, Dendooven, T, Hardwick, S.W, Chirgadze, D.Y, Luisi, B.F, Logan, D.T, Mani, K, Dupree, P.
登録日2020-11-02
公開日2022-05-18
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献The structure of EXTL3 helps to explain the different roles of bi-domain exostosins in heparan sulfate synthesis.
Nat Commun, 13, 2022
7AU2
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BU of 7au2 by Molmil
Cryo-EM structure of human exostosin-like 3 (EXTL3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, 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Wilson, L.F.L, Dendooven, T, Hardwick, S.W, Chirgadze, D.Y, Luisi, B.F, Logan, D.T, Mani, K, Dupree, P.
登録日2020-11-02
公開日2022-05-18
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献The structure of EXTL3 helps to explain the different roles of bi-domain exostosins in heparan sulfate synthesis.
Nat Commun, 13, 2022
6OA7
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BU of 6oa7 by Molmil
Horse liver L57F alcohol dehydrogenase E complexed with NAD and trifluoroethanol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V.
登録日2019-03-15
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer.
Biochemistry, 59, 2020
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
分子名称: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
8G74
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BU of 8g74 by Molmil
SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3
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, Nanosota-3, ...
著者Ye, G, Bu, F, Liu, B, Li, F.
登録日2023-02-16
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
6O91
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Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2019-03-12
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer.
Biochemistry, 59, 2020
7RE8
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Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022

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