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PDB: 88675 件

5M6V
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative
分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-10-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
7Q61
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Structure of TEV conjugated A2ML1 (A2ML1-TC)
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, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
6ETM
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Atomic resolution structure of RNase A (data collection 3)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
5M79
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Blood group synthase AAGlyB in complex with UMP and cryoprotected with glycerol
分子名称: GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Rocha, J, Royant, A.
登録日2016-10-27
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Blood group synthase AAGlyB in complex with UMP and cryoprotected with glycerol
To be published
6S2T
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BU of 6s2t by Molmil
Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp
分子名称: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
5MB6
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Cocktail experiment D: fragments 308 and 333 at 50mM concentration
分子名称: Endothiapepsin, GLYCEROL, SULFATE ION
著者Radeva, N, Koester, H, Heine, A, Klebe, G.
登録日2016-11-07
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Comparison of cocktail versus single soaking experiments
To Be Published
5MBQ
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CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni
分子名称: Enterochelin uptake periplasmic binding protein
著者Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
登録日2016-11-08
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
5MCE
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Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 5.43 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-09
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6EV7
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Structure of E282D A. niger Fdc1 with prFMN in the iminium form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
7N24
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BU of 7n24 by Molmil
NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
8H2I
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Near-atomic structure of five-fold averaged PBCV-1 capsid
分子名称: MCPv1, MCPv2, MCPv3, ...
著者Shao, Q, Agarkova, I.V, Noel, E.A, Dunigan, D.D, Liu, Y, Wang, A, Guo, M, Xie, L, Zhao, X, Rossmann, M.G, Van Etten, J.L, Klose, T, Fang, Q.
登録日2022-10-06
公開日2022-11-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Near-atomic, non-icosahedrally averaged structure of giant virus Paramecium bursaria chlorella virus 1.
Nat Commun, 13, 2022
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
6FC7
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BU of 6fc7 by Molmil
Crystal Structure of Two-Domain Laccase mutant H165F from Streptomyces griseoflavus with high copper ions occupancy
分子名称: COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ...
著者Gabdulkhakov, A.G, Tishchenko, T.V.
登録日2017-12-20
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
7N26
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NMR structure of EpI-[Y(SO3)15Y]-NH2
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
著者Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
6ETR
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BU of 6etr by Molmil
Atomic resolution structure of RNase A (data collection 8)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6XN8
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BU of 6xn8 by Molmil
Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
分子名称: 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N.
登録日2020-07-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
To Be Published
4XB5
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BU of 4xb5 by Molmil
Structure of orange carotenoid protein binding canthaxanthin
分子名称: GLYCEROL, Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
著者Kerfeld, C.A, Sutter, M, Leverenz, R.L.
登録日2014-12-16
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection.
Science, 348, 2015
7Z4O
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BU of 7z4o by Molmil
Influenza A/H7N9 polymerase core dimer with Pol II pSer5 CTD peptide mimic bound in site 2A
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Cusack, S, Pflug, A.
登録日2022-03-04
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.412 Å)
主引用文献Type B and type A influenza polymerases have evolved distinct binding interfaces to recruit the RNA polymerase II CTD.
Plos Pathog., 18, 2022
5MQJ
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Crystal structure of dCK mutant C3S
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
著者Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
登録日2016-12-20
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5MRA
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human SCBD (sorcin calcium binding domain) in complex with doxorubicin
分子名称: DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Colotti, G, Genovese, I.
登録日2016-12-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
7PJ4
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BU of 7pj4 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-08-23
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7S3J
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Crystal Structure of AspB P450 in complex with brevianamide F substrates
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ...
著者Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
登録日2021-09-07
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 62, 2023
5C7Q
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Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
登録日2015-06-24
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015

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件を2024-07-31に公開中

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