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5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BNH
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BU of 5bnh by Molmil
Crystal structure of the HLTF HIRAN domain with a ssDNA fragment
分子名称: ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ...
著者Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S.
登録日2015-05-26
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
5DAJ
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BU of 5daj by Molmil
Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-08-20
公開日2016-04-20
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
1HKY
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BU of 1hky by Molmil
Solution structure of a PAN module from Eimeria tenella
分子名称: MICRONEME PROTEIN 5 PRECURSOR
著者Brown, P.J, Mulvey, D, Potts, J.R, Tomley, F.M, Campbell, I.D.
登録日2002-10-03
公開日2002-10-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella
J.Struct.Funct.Genom., 4, 2003
6HVF
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BU of 6hvf by Molmil
Kinase domain of cSrc in complex with compound 29B
分子名称: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-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 (2.1 Å)
主引用文献Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
5D71
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BU of 5d71 by Molmil
Crystal structure of MOR04302, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF
分子名称: DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ...
著者Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M.
登録日2015-08-13
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
6HWT
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BU of 6hwt by Molmil
Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
5D9B
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BU of 5d9b by Molmil
Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against native data)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
5CR1
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BU of 5cr1 by Molmil
Crystal structure of TTR/resveratrol/T4 complex
分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, RESVERATROL, Transthyretin
著者Zanotti, G, Florio, P, Folli, C, Cianci, M, Del Rio, D, Berni, R.
登録日2015-07-22
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.545 Å)
主引用文献Transthyretin Binding Heterogeneity and Anti-amyloidogenic Activity of Natural Polyphenols and Their Metabolites.
J.Biol.Chem., 290, 2015
6HZH
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BU of 6hzh by Molmil
Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
分子名称: Penicillin-binding protein
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 (1.83 Å)
主引用文献Apo structure of TP domain from Chlamydia trachomatis penicillin-binding protein 3
To Be Published
1HYB
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BU of 1hyb by Molmil
CRYSTAL STRUCTURE OF AN ACTIVE SITE MUTANT OF METHANOBACTERIUM THERMOAUTOTROPHICUM NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE
分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, SULFATE ION
著者Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F.
登録日2001-01-18
公開日2001-03-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes.
J.Biol.Chem., 276, 2001
6HPI
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BU of 6hpi by Molmil
NMR structure of the pro-inflammatory cytokine interleukin-36alpha
分子名称: Interleukin-36 alpha
著者Ohlenschlaeger, O, Imhof, D.
登録日2018-09-21
公開日2019-10-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献(1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36alpha.
Biomol NMR Assign, 10, 2016
6HVK
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BU of 6hvk by Molmil
Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
分子名称: Urotensin-2 receptor
著者Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D.
登録日2018-10-11
公開日2019-10-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
5DCN
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BU of 5dcn by Molmil
Crystal structure of LC3 in complex with TECPR2 LIR
分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Stadel, D, Huber, J, Dotsch, V, Rogov, V.V, Behrends, C, Akutsu, M.
登録日2015-08-24
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TECPR2 Cooperates with LC3C to Regulate COPII-Dependent ER Export.
Mol.Cell, 60, 2015
6I45
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BU of 6i45 by Molmil
Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation
分子名称: DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION
著者Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y.
登録日2018-11-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.
Int.J.Biol.Macromol., 217, 2022
6I1I
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BU of 6i1i by Molmil
Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 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
5CQ1
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BU of 5cq1 by Molmil
Disproportionating enzyme 1 from Arabidopsis - cycloamylose soak
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
著者O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
登録日2015-07-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
5CMV
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BU of 5cmv by Molmil
Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CND
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BU of 5cnd by Molmil
Ultrafast dynamics in myoglobin: 3 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
6K42
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BU of 6k42 by Molmil
cryo-EM structure of alpha2BAR-Gi1 complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
5CN5
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BU of 5cn5 by Molmil
Ultrafast dynamics in myoglobin: 0 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5BWN
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BU of 5bwn by Molmil
Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Gai, W, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
6K7F
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BU of 6k7f by Molmil
Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker
分子名称: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Bala, S, Shimada, A, Kohda, D.
登録日2019-06-07
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
5BYZ
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BU of 5byz by Molmil
ERK5 in complex with small molecule
分子名称: 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7
著者Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D.
登録日2015-06-11
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
6GYU
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BU of 6gyu by Molmil
Cryo-EM structure of the CBF3-msk complex of the budding yeast kinetochore
分子名称: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-02
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018

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