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4NVL
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Predicting protein conformational response in prospective ligand discovery.
分子名称: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.432 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVH
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BU of 4nvh by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVK
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Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
2MC9
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BU of 2mc9 by Molmil
Cat r 1
分子名称: Peptidyl-prolyl cis-trans isomerase
著者Mueller, G, London, R, Ghosh, D.
登録日2013-08-16
公開日2014-06-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Primary identification, biochemical characterization, and immunologic properties of the allergenic pollen cyclophilin cat R 1.
J.Biol.Chem., 289, 2014
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2022-11-06
公開日2023-01-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
6JJA
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BU of 6jja by Molmil
Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii extra small virus (XSV) VLP
分子名称: CALCIUM ION, Nucleocapsid protein CP17
著者Chang, W.H, Wang, C.H, Lin, H.H, Lin, S.Y, Chong, S.C, Wu, Y.Y.
登録日2019-02-25
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Cryo-EM structure of giant freshwater prawn Macrobrachium rosenbergii extra small virus (XSV) VLP
To Be Published
4WSE
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BU of 4wse by Molmil
Crystal structure of the Mimivirus polyadenylate synthase
分子名称: Putative poly(A) polymerase catalytic subunit
著者Priet, S, Lartigue, A, Claverie, J.M, Abergel, C.
登録日2014-10-27
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
2M9E
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BU of 2m9e by Molmil
NMR solution structure of Pin1 WW domain mutant 5-1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
登録日2013-06-07
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
2M9I
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NMR solution structure of Pin1 WW domain variant 6-1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W.
登録日2013-06-10
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins.
J.Am.Chem.Soc., 135, 2013
8RFE
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BU of 8rfe by Molmil
CgsiGP2 sample in nanodisc
分子名称: Cyclic beta 1-2 glucan synthetase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
8RFG
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CgsiGP3 sample in nanodisc
分子名称: Cyclic beta 1-2 glucan synthetase, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose, ...
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
8RF0
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BU of 8rf0 by Molmil
WT-CGS sample in nanodisc
分子名称: Cyclic beta-(1,2)-glucan synthase NdvB, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose, ...
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
2MU4
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BU of 2mu4 by Molmil
Structure of F. tularensis Virulence Determinant
分子名称: flpp3Sol_2
著者Zook, J.J.D.Z, Mo, G.G.M, Craciunescu, F.F.C, Sisco, N.N.S, Hansen, D.D.H, Baravati, B.B.B, Van Horn, W.W.V.H, Cherry, B.B.C, Fromme, P.P.F.
登録日2014-09-03
公開日2015-06-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Structure of Francisella tularensis Virulence Determinant Reveals Structural Homology to Bet v1 Allergen Proteins.
Structure, 23, 2015
4X2S
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BU of 4x2s by Molmil
Crystal structure of 276S/M395R-GltPh in inward-facing conformation
分子名称: 425aa long hypothetical proton glutamate symport protein, ASPARTIC ACID, SODIUM ION
著者Akyuz, N, Boudker, O.
登録日2014-11-26
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.21 Å)
主引用文献Transport domain unlocking sets the uptake rate of an aspartate transporter.
Nature, 518, 2015
4WSB
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BU of 4wsb by Molmil
Bat Influenza A polymerase with bound vRNA promoter
分子名称: Influenza A polymerase vRNA promoter 3' end, Influenza A polymerase vRNA promoter 5' end, PHOSPHATE ION, ...
著者Cusack, S, Pflug, A, Guilligay, D, Reich, S.
登録日2014-10-26
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
1SM1
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BU of 1sm1 by Molmil
COMPLEX OF THE LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS WITH QUINUPRISTIN AND DALFOPRISTIN
分子名称: 23S RIBOSOMAL RNA, 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, 50S RIBOSOMAL PROTEIN L11, ...
著者Harms, J.M, Schluenzen, F, Fucini, P, Bartels, H, Yonath, A.
登録日2004-03-08
公開日2004-08-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Alterations at the Peptidyl Transferase Centre of the Ribosome Induced by the Synergistic Action of the Streptogramins Dalfopristin and Quinupristin.
Bmc Biol., 2, 2004
4WRT
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BU of 4wrt by Molmil
Crystal structure of Influenza B polymerase with bound vRNA promoter (form FluB2)
分子名称: Influenza virus polymerase vRNA promoter 3' end, Influenza virus polymerase vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-25
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
4X27
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BU of 4x27 by Molmil
Structural basis for the enhancement of virulence by entomopoxvirus fusolin and its in vivo crystallization into viral spindles (complex with Copper)
分子名称: COPPER (II) ION, Fusolin
著者Aizel, K, Boudes, M, Coulibaly, F.
登録日2014-11-26
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WSA
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BU of 4wsa by Molmil
Crystal structure of Influenza B polymerase bound to the vRNA promoter (FluB1 form)
分子名称: Influenza B vRNA promoter 3' end, Influenza B vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-26
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
7ZPG
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BU of 7zpg by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND
分子名称: Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone
著者Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L.
登録日2022-04-27
公開日2022-09-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
5HZX
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Crystal structure of zebrafish MTH1 in complex with TH588
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P.
登録日2016-02-03
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition.
Cancer Res., 76, 2016
8A8C
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BU of 8a8c by Molmil
T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA
分子名称: Ferrichrome outer membrane transporter/phage receptor, Receptor-binding protein pb5, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate
著者Silale, A, van den Berg, B.
登録日2022-06-22
公開日2022-10-05
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for host recognition and superinfection exclusion by bacteriophage T5.
Proc.Natl.Acad.Sci.USA, 119, 2022
8A60
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Crystal structure of FhuA in complex with the superinfection exclusion lipoprotein Llp
分子名称: Ferrichrome outer membrane transporter/phage receptor, Lytic conversion lipoprotein
著者van den Berg, B.
登録日2022-06-16
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Structural basis for host recognition and superinfection exclusion by bacteriophage T5.
Proc.Natl.Acad.Sci.USA, 119, 2022
8S1M
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BU of 8s1m by Molmil
Crystal structure of human GABARAP fused to EGFR (1076-1099)
分子名称: CHLORIDE ION, Epidermal growth factor receptor,Gamma-aminobutyric acid receptor-associated protein, GLYCEROL
著者Ueffing, A, Willbold, D, Weiergraeber, O.H.
登録日2024-02-15
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of human GABARAP fused to EGFR (1076-1099)
To Be Published

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件を2024-10-16に公開中

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