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6Z3P
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BU of 6z3p by Molmil
Structure of EV71 in complex with a protective antibody 38-3-11A Fab
分子名称: SPHINGOSINE, VP1, VP2, ...
著者Zhou, D, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-05-21
公開日2020-09-02
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
6Z4B
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BU of 6z4b by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ...
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2020-05-25
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
5AII
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BU of 5aii by Molmil
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ...
著者Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D.
登録日2015-02-13
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
6YU4
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BU of 6yu4 by Molmil
Crystal structure of MhsT in complex with L-4F-phenylalanine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YUZ
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BU of 6yuz by Molmil
Homodimeric structure of the rBAT complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neutral and basic amino acid transport protein rBAT
著者Wu, D, Safarian, S, Michel, H.
登録日2020-04-27
公開日2021-01-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for amino acid exchange by a human heteromeric amino acid transporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AH0
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BU of 5ah0 by Molmil
STRUCTURE OF LIPASE 1 FROM PELOSINUS FERMENTANS
分子名称: DI(HYDROXYETHYL)ETHER, LIPASE, POTASSIUM ION, ...
著者Hromic, A, Gruber, K, Biundo, A, Ribitsch, D, Quartinello, F, Perz, V, Arrell, M.S, Kalman, F, Guebitz, G.M.
登録日2015-02-04
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of a Poly(Butylene Adipate-Co-Terephthalate)-Hydrolyzing Lipase from Pelosinus Fermentans.
Appl.Microbiol.Biotechnol., 100, 2016
6HHJ
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BU of 6hhj by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
1IB5
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BU of 1ib5 by Molmil
X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83Y
分子名称: COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION
著者Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A.
登録日2001-03-27
公開日2001-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase.
J.Mol.Biol., 308, 2001
6FJM
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BU of 6fjm by Molmil
tubulin-Disorazole Z complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ...
著者Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O.
登録日2018-01-22
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
6HK3
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BU of 6hk3 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C44
分子名称: 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6ZAV
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BU of 6zav by Molmil
NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
登録日2020-06-05
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6HK7
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BU of 6hk7 by Molmil
Crystal structure of GSK-3B in complex with pyrazine inhibitor C50
分子名称: 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A.
登録日2018-09-05
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
6HVE
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BU of 6hve by Molmil
Kinase domain of cSrc in complex with compound 9
分子名称: Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
著者Keul, M, Mueller, M.P, Rauh, D.
登録日2018-10-10
公開日2019-10-23
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
1IAZ
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BU of 1iaz by Molmil
EQUINATOXIN II
分子名称: EQUINATOXIN II, SULFATE ION
著者Athanasiadis, A, Anderluh, G, Macek, P, Turk, D.
登録日2001-03-24
公開日2001-04-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina.
Structure, 9, 2001
6ZKP
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BU of 6zkp by Molmil
Native complex I, open1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6Z36
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BU of 6z36 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ...
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-05-19
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
6ZLC
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BU of 6zlc by Molmil
Non-specific dsRNA recognition by wildtype H7N1 RNA-binding domain
分子名称: NITRATE ION, Non-structural protein 1, RNA (5'-R(*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*CP*U)-3'), ...
著者Coste, F, Wacquiez, A, Marc, D, Castaing, B.
登録日2020-06-30
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.
Viruses, 12, 2020
6Z3Q
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BU of 6z3q by Molmil
Structure of EV71 in complex with a protective antibody 38-1-10A Fab
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Zhou, D, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-05-21
公開日2020-09-02
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
5A9G
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BU of 5a9g by Molmil
Manganese Superoxide Dismutase from Sphingobacterium sp. T2
分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
著者Rashid, G.M.M, Taylor, C.R, Liu, Y, Zhang, X, Rea, D, Fulop, V, Bugg, T.D.H.
登録日2015-07-21
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of Manganese Superoxide Dismutase from Sphingobacterium Sp. T2 as a Novel Bacterial Enzyme for Lignin Oxidation.
Acs Chem.Biol., 10, 2015
6Z4D
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BU of 6z4d by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001
分子名称: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2020-05-25
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
1I5R
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BU of 1i5r by Molmil
TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX
分子名称: GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE
著者Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X.
登録日2001-02-28
公開日2003-03-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
6YU5
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BU of 6yu5 by Molmil
Crystal structure of MhsT in complex with L-valine
分子名称: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
5A2G
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BU of 5a2g by Molmil
An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters
分子名称: CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION
著者Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M.
登録日2015-05-19
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
6HZJ
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BU of 6hzj by Molmil
Apo structure of TP domain from clinical penicillin-resistant mutant Neisseria gonorrhoea strain 6140 Penicillin-Binding Protein 2 (PBP2)
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
5A9A
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BU of 5a9a by Molmil
Crystal structure of Simulium ubiquitum CPV20 polyhedra
分子名称: POLYHEDRIN, URIDINE 5'-TRIPHOSPHATE
著者Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
登録日2015-07-17
公開日2015-09-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015

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