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6CCH
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BU of 6cch by Molmil
NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
登録日2018-02-07
公開日2018-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
6GQY
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BU of 6gqy by Molmil
KRAS-169 Q61H GPPNHP + CH-3
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GGC
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BU of 6ggc by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GKA
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BU of 6gka by Molmil
20 minute Fe2+ soak structure of SynFtn
分子名称: CHLORIDE ION, FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2018-05-18
公開日2019-01-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GOD
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BU of 6god by Molmil
KRAS full length wild-type GPPNHP
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GFH
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BU of 6gfh by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-04-30
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
4U28
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BU of 4u28 by Molmil
Crystal structure of apo Phosphoribosyl isomerase A from Streptomyces sviceus ATCC 29083
分子名称: PHOSPHATE ION, Phosphoribosyl isomerase A
著者Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-07-16
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6TVF
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BU of 6tvf by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN
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Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6GKC
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BU of 6gkc by Molmil
2 minute Fe2+ soak structure of SynFtn
分子名称: FE (III) ION, Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2018-05-18
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6H3A
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BU of 6h3a by Molmil
Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta, ZINC ION
著者Newman, J.A, Aitkenhead, H, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-07-17
公開日2019-06-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (5.505 Å)
主引用文献A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 27, 2019
4Z3S
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BU of 4z3s by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ...
著者Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N.
登録日2015-03-31
公開日2015-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A.
Mol.Cell, 58, 2015
6FVQ
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BU of 6fvq by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - R86A
分子名称: Cys-loop ligand-gated ion channel, TETRAETHYLENE GLYCOL, nonyl beta-D-glucopyranoside
著者Hu, H, Delarue, M.
登録日2018-03-05
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4UB7
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BU of 4ub7 by Molmil
High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond
分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha
著者Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
登録日2014-08-12
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
6GQX
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BU of 6gqx by Molmil
KRAS-169 Q61H GPPNHP + CH-2
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EQD
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BU of 6eqd by Molmil
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis collected at long wavelength
分子名称: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase
著者Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2017-10-12
公開日2018-04-25
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization and engineering of a plastic-degrading aromatic polyesterase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8TW3
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BU of 8tw3 by Molmil
hMPV fusion protein complexed with single domain antibodies sdHMPV16 and sdHMPV12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein, Single domain antibody sdHMPV12, ...
著者Rush, S.A, McLellan, J.S.
登録日2023-08-19
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A neutralizing single-domain antibody that targets the trimer interface of the human metapneumovirus fusion protein.
Mbio, 15, 2024
6U9C
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BU of 6u9c by Molmil
The 2.2 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the complex with Acetyl CoA
分子名称: ACETYL COENZYME *A, CHLORIDE ION, CITRIC ACID, ...
著者Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-09-07
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the complex with Acetyl CoA
To Be Published
4ZE9
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BU of 4ze9 by Molmil
Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
分子名称: 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者El Sahili, A, Guimaraes, B.G, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
6GOM
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BU of 6gom by Molmil
KRAS-169 Q61H GPPNHP + PPIN-1
分子名称: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7LJY
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BU of 7ljy by Molmil
Cryo-EM structure of the B dENE construct complexed with a 28-mer poly(A)
分子名称: B dENE construct, poly(A)
著者Torabi, S, Chen, Y, Zhang, K, Wang, J, DeGregorio, S, Vaidya, A, Su, Z, Pabit, S, Chiu, W, Pollack, L, Steitz, J.
登録日2021-02-01
公開日2021-04-14
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural analyses of an RNA stability element interacting with poly(A).
Proc.Natl.Acad.Sci.USA, 118, 2021
4UPU
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BU of 4upu by Molmil
Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin
分子名称: CALCIUM ION, CALMODULIN, GLYCEROL, ...
著者Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B.
登録日2014-06-18
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation.
Biochem.J., 463, 2014
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6E5Z
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BU of 6e5z by Molmil
Crystal structure of human DJ-1 with a natural modification on Cys-106
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Shumilin, I.A, Shumilina, S.V, Minor, W.
登録日2018-07-23
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
Biochem. Biophys. Res. Commun., 504, 2018
1EDJ
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BU of 1edj by Molmil
STAPHYLOCOCCAL PROTEIN A E-DOMAIN (180), NMR, 20 STRUCTURES
分子名称: STAPHYLOCOCCAL PROTEIN A
著者Starovasnik, M.A, Skelton, N.J, Fairbrother, W.J.
登録日1996-10-07
公開日1997-04-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the E-domain of staphylococcal protein A.
Biochemistry, 35, 1996

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