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PDB: 88675 results

5M6V
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BU of 5m6v by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
7Q61
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BU of 7q61 by Molmil
Structure of TEV conjugated A2ML1 (A2ML1-TC)
Descriptor: 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
Authors:Nielsen, N.S, Zarantonello, A, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
6ETM
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BU of 6etm by Molmil
Atomic resolution structure of RNase A (data collection 3)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
5M79
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BU of 5m79 by Molmil
Blood group synthase AAGlyB in complex with UMP and cryoprotected with glycerol
Descriptor: GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Rocha, J, Royant, A.
Deposit date:2016-10-27
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
Authors:Garcia-Pino, A.
Deposit date:2019-06-22
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
5MB6
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BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
Descriptor: Endothiapepsin, GLYCEROL, SULFATE ION
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
5MBQ
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BU of 5mbq by Molmil
CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni
Descriptor: Enterochelin uptake periplasmic binding protein
Authors:Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-11-08
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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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BU of 5mce by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 5.43 MGy
Descriptor: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
Authors:Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
Deposit date:2016-11-09
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6EV7
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BU of 6ev7 by Molmil
Structure of E282D A. niger Fdc1 with prFMN in the iminium form
Descriptor: 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, ...
Authors:Bailey, S.S, Leys, D, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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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BU of 8h2i by Molmil
Near-atomic structure of five-fold averaged PBCV-1 capsid
Descriptor: MCPv1, MCPv2, MCPv3, ...
Authors: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.
Deposit date:2022-10-06
Release date:2022-11-16
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: Alpha-conotoxin EpI-OH
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
Descriptor: Alpha-conotoxin EpI
Authors:Conibear, A.C, Rosengren, K.J, Lee, H.S.
Deposit date:2021-05-28
Release date:2021-11-17
Method:SOLUTION NMR
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite: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
Descriptor: 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, ...
Authors:Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: GLYCEROL, Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
Authors:Kerfeld, C.A, Sutter, M, Leverenz, R.L.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Cusack, S, Pflug, A.
Deposit date:2022-03-04
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.412 Å)
Cite: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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BU of 5mqj by Molmil
Crystal structure of dCK mutant C3S
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors: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.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5MRA
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BU of 5mra by Molmil
human SCBD (sorcin calcium binding domain) in complex with doxorubicin
Descriptor: DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ...
Authors:Ilari, A, Fiorillo, A, Colotti, G, Genovese, I.
Deposit date:2016-12-22
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.74 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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BU of 7pj6 by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
Descriptor: 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, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7S3J
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BU of 7s3j by Molmil
Crystal Structure of AspB P450 in complex with brevianamide F substrates
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ...
Authors:Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2021-09-07
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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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BU of 5c7q by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-24
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015

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數據於2024-07-31公開中

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