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6RAL
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BU of 6ral by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
著者Boettcher, J.
登録日2019-03-21
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
5AAC
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BU of 5aac by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
3VFN
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BU of 3vfn by Molmil
crystal structure of HLA B*3508LPEP151A, HLA mutant Ala151
分子名称: Beta-2-microglobulin, LPEP peptide from EBV, LPEPLPQGQLTAY, ...
著者Liu, Y, Rossjohn, J, Gras, S.
登録日2012-01-10
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
6XUN
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BU of 6xun by Molmil
Ab 5b1 bound to CA19-9
分子名称: GLYCEROL, Heavy chain, Light chain, ...
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-20
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6RC7
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BU of 6rc7 by Molmil
NMR structure of cytotoxin 3 from Naja kaouthia in solution, major form
分子名称: Cytotoxin 3
著者Dubinnyi, M.A, Dubovskii, P.V, Utkin, Y.N, Arseniev, A.S.
登録日2019-04-11
公開日2020-05-13
最終更新日2021-05-26
実験手法SOLUTION NMR
主引用文献The omega-loop of cobra cytotoxins tolerates multiple amino acid substitutions.
Biochem.Biophys.Res.Commun., 558, 2021
5VZ0
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BU of 5vz0 by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Choi, P.H, Tong, L.
登録日2017-05-26
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4V15
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BU of 4v15 by Molmil
Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans
分子名称: D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K.
登録日2014-09-24
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Plos One, 10, 2015
1N19
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BU of 1n19 by Molmil
Structure of the HSOD A4V mutant
分子名称: COPPER (I) ION, SULFATE ION, Superoxide Dismutase [Cu-Zn], ...
著者Cardoso, R.M.F, Thayer, M.M, DiDonato, M, Lo, T.P, Bruns, C.K, Getzoff, E.D, Tainer, J.A.
登録日2002-10-16
公開日2002-11-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Insights into Lou Gehrig's disease from the structure and instability of the A4V mutant of human Cu,Zn superoxide dismutase.
J.Mol.Biol., 324, 2002
5A8B
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BU of 5a8b by Molmil
Structure of a parallel dimer of the aureochrome 1a LOV domain from Phaeodactylum tricornutum
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Banerjee, A, Herman, E, Kottke, T, Essen, L.O.
登録日2015-07-14
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.791 Å)
主引用文献Structure of a Native-Like Aureochrome 1A Lov Domain Dimer from Phaeodactylum Tricornutum.
Structure, 24, 2016
5W6V
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BU of 5w6v by Molmil
The Structure of human Argonaute-1 in complex with the hook motif of human GW182
分子名称: Protein argonaute-1, RNA (5'-R(P*AP*AP*UP*AP*UP*UP*AP*AP*AP*A)-3'), Trinucleotide repeat-containing gene 6A protein
著者Elkayam, E, Faehnle, C.R, Joshua-Tor, L.
登録日2017-06-17
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.828 Å)
主引用文献Multivalent Recruitment of Human Argonaute by GW182.
Mol. Cell, 67, 2017
1W07
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BU of 1w07 by Molmil
Arabidopsis thaliana acyl-CoA oxidase 1
分子名称: ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ...
著者Henriksen, A, Pedersen, L.
登録日2004-06-01
公開日2004-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism
J.Mol.Biol., 345, 2005
4ZZ7
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BU of 4zz7 by Molmil
Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii
分子名称: Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H.
登録日2015-05-22
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii.
J. Microbiol., 54, 2016
5W1X
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BU of 5w1x by Molmil
Crystal Structure of Humanpapillomavirus18 (HPV18) Capsid L1 Pentamers Bound to Heparin Oligosaccharides
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, ...
著者Chen, X.S, Dasgupta, J.
登録日2017-06-05
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.374 Å)
主引用文献Structural basis of oligosaccharide receptor recognition by human papillomavirus.
J. Biol. Chem., 286, 2011
1N3I
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BU of 1n3i by Molmil
Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase
著者Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L.
登録日2002-10-28
公開日2003-09-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase
BIOCHEMISTRY, 42, 2003
6X85
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BU of 6x85 by Molmil
Crystal Structure of TNFalpha with indolinone compound 9
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
1VZH
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BU of 1vzh by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
分子名称: CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ...
著者Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
登録日2004-05-19
公開日2004-08-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
6X8F
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BU of 6x8f by Molmil
Crystal structure of TYK2 with Compound 11
分子名称: Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
著者Vajdos, F.F, Knafels, J.D.
登録日2020-06-01
公開日2020-11-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
4W61
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BU of 4w61 by Molmil
Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha
分子名称: Beta-ketothiolase BktB
著者Fage, C.D, Keatinge-Clay, A.T.
登録日2014-08-19
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Coenzyme A-free activity, crystal structure, and rational engineering of a promiscuous beta-ketoacyl thiolase fromRalstonia eutropha.
J. Mol. Catal., B Enzym., 121, 2015
3VLZ
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BU of 3vlz by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full complex from tobacco leaf
分子名称: CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ...
著者Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
登録日2011-12-05
公開日2012-09-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
6RAP
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BU of 6rap by Molmil
Cryo-EM structure of the anti-feeding prophage cap (AFP tube terminating cap)
分子名称: Afp1, Afp16, Afp2, ...
著者Desfosses, A.
登録日2019-04-07
公開日2019-04-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic structures of an entire contractile injection system in both the extended and contracted states.
Nat Microbiol, 4, 2019
1N4F
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BU of 1n4f by Molmil
Para-Arsanilate Derivative of Hen Egg-White Lysozyme
分子名称: 1,2-ETHANEDIOL, 4-AMINOPHENYLARSONIC ACID, Lysozyme C, ...
著者Retailleau, P, Prange, T.
登録日2002-10-31
公開日2003-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Phasing power at the K absorption edge of organic arsenic.
Acta Crystallogr.,Sect.D, 59, 2003
6RB2
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BU of 6rb2 by Molmil
Structure of the (SR)Ca2+-ATPase mutant E340A in the Ca2-E1-CaAMPPCP form
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
著者Clausen, J.D, Montigny, C, Lenoir, G, Arnou, B, Jaxel, C, Moller, J.V, Nissen, P, Andersen, J.P, Le Maire, M, Bublitz, M.
登録日2019-04-09
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.20001125 Å)
主引用文献The SERCA residue Glu340 mediates interdomain communication that guides Ca 2+ transport.
Proc.Natl.Acad.Sci.USA, 117, 2020
4W70
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BU of 4w70 by Molmil
Periplasmically Produced Monomeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB) at pH 7.0
分子名称: SULFATE ION, Single Domain Antibody
著者George, J, Legler, P.M.
登録日2014-08-21
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014

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