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6OO8
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Dehaloperoxidase B in complex with substrate pentachlorophenol
分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-04-22
公開日2020-04-29
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
7CYK
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BU of 7cyk by Molmil
Crystal structure of a second cysteine-pair mutant (V110C-I197C) of a bacterial bile acid transporter before disulfide bond formation
分子名称: MERCURY (II) ION, Transporter, sodium/bile acid symporter family
著者Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
登録日2020-09-03
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
5FUO
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BU of 5fuo by Molmil
Extending the half-life of a Fab fragment through generation of a humanised anti-Human Serum Albumin (HSA) Fv domain: an investigation into the correlation between affinity and serum half-life
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SERUM ALBUMIN
著者Adams, R, Ceska, T.
登録日2016-01-28
公開日2016-06-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6ROA
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BU of 6roa by Molmil
Crystal structure of V57G mutant of human cystatin C
分子名称: Cystatin-C
著者Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
登録日2019-05-10
公開日2019-08-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
5J78
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BU of 5j78 by Molmil
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
分子名称: ACETATE ION, Acetaldehyde dehydrogenase (Acetylating), GLYCEROL, ...
著者Crennell, S.J, Extance, J.P, Danson, M.J.
登録日2016-04-06
公開日2016-09-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
8WZU
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BU of 8wzu by Molmil
4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus.
分子名称: 4-hydroxybutyrate--CoA ligase [ADP-forming], SULFATE ION
著者Johnson, J, Demirci, H.
登録日2023-11-02
公開日2024-06-12
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the 4-hydroxybutyryl-CoA synthetase (ADP-forming) from nitrosopumilus maritimus.
Commun Biol, 7, 2024
5J7I
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Crystal structure of a Geobacillus thermoglucosidasius Acetylating Aldehyde Dehydrogenase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, Acetaldehyde dehydrogenase (Acetylating)
著者Crennell, S.J, Extance, J.P, Danson, M.J.
登録日2016-04-06
公開日2016-09-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
6BY0
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BU of 6by0 by Molmil
Crystal structure of catalase HPII from E. coli in space group P1
分子名称: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
著者Lisa, M.N, Buschiazzo, A.
登録日2017-12-19
公開日2018-01-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
5DXV
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BU of 5dxv by Molmil
Crystal structure of Rethreaded DHFR
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Faham, S.
登録日2015-09-24
公開日2016-06-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Protein rethreading: A novel approach to protein design.
Sci Rep, 6, 2016
6CR1
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BU of 6cr1 by Molmil
adalimumab EFab
分子名称: DI(HYDROXYETHYL)ETHER, Heavy chain of adalimumab EFab (VH-IgE CH2), Light chain of adalimumab EFab (VL-IgE CH2), ...
著者Arndt, J.W.
登録日2018-03-16
公開日2018-09-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献EFab domain substitution as a solution to the light-chain pairing problem of bispecific antibodies.
MAbs, 10, 2018
2KQO
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BU of 2kqo by Molmil
A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation
分子名称: beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Sattelle, B.M, Shakeri, J, Roberts, I.S, Almond, A.
登録日2009-11-12
公開日2009-12-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation.
Carbohydr.Res., 345, 2010
6RA6
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BU of 6ra6 by Molmil
Ferric murine neuroglobin Gly-loop44-47/F106A mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B.
登録日2019-04-05
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
6ROR
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BU of 6ror by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6ROS
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BU of 6ros by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6D71
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BU of 6d71 by Molmil
Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1
著者Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2018-04-23
公開日2019-10-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7180779 Å)
主引用文献Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
5HIW
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BU of 5hiw by Molmil
Sorangium cellulosum So Ce56 cytochrome P450 260B1
分子名称: Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
登録日2016-01-12
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1.
Febs Lett., 590, 2016
1O63
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BU of 1o63 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
分子名称: ATP phosphoribosyltransferase
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6C
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BU of 1o6c by Molmil
Crystal structure of UDP-N-acetylglucosamine 2-epimerase
分子名称: UDP-N-acetylglucosamine 2-epimerase
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
2IN2
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BU of 2in2 by Molmil
NMR Structure of the Apo Human Rhinovirus 3C Protease (serotype 14)
分子名称: Picornain 3C
著者Bjorndahl, T.C, Semenchenko, V, Wishart, D.S.
登録日2006-10-05
公開日2006-10-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR solution structures of the apo and peptide-inhibited human rhinovirus 3C protease (Serotype 14): structural and dynamic comparison.
Biochemistry, 46, 2007
8YP4
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BU of 8yp4 by Molmil
Structure of MAP2K1 complexed with 5Z7-oxozeaenol
分子名称: (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL
著者Yumura, S, Kinoshita, T.
登録日2024-03-15
公開日2025-01-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors.
Bioorg.Med.Chem.Lett., 112, 2024
6A8M
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BU of 6a8m by Molmil
N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii)
分子名称: FACT complex subunit SPT16
著者Gaur, N.K, Are, V.N, Durani, V, Ghosh, B, Kumar, A, Kulkarni, K, Makde, R.D.
登録日2018-07-09
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16.
J.Biomol.Struct.Dyn., 2021
2M5E
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BU of 2m5e by Molmil
Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2
分子名称: CALCIUM ION, Calmodulin, Sodium channel protein type 2 subunit alpha
著者Fowler, C.A, Feldkamp, M.D, Yu, L, Shea, M.A.
登録日2013-02-21
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Calcium triggers reversal of calmodulin on nested anti-parallel sites in the IQ motif of the neuronal voltage-dependent sodium channel NaV1.2.
Biophys. Chem., 224, 2017

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