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5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
分子名称: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
著者Achour, A, Sandalova, T, Allerbring, E.B.
登録日2016-10-03
公開日2017-11-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
5TMZ
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BU of 5tmz by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
分子名称: (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.207 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN7
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BU of 5tn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate
分子名称: 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
3K7I
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BU of 3k7i by Molmil
Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: Indian hedgehog protein, SULFATE ION, ZINC ION
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
5JOZ
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BU of 5joz by Molmil
Bacteroides ovatus Xyloglucan PUL GH43B
分子名称: CALCIUM ION, Non-reducing end alpha-L-arabinofuranosidase BoGH43B
著者Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
5V9P
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BU of 5v9p by Molmil
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5JSN
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BU of 5jsn by Molmil
Bcl2-inhibitor complex
分子名称: Apoptosis regulator Bcl-2, Bcl2 inhibitor
著者Shen, B.W, Stoddard, B.L.
登録日2016-05-09
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
5VAM
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BU of 5vam by Molmil
BRAF in Complex with RAF709
分子名称: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
1R6G
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BU of 1r6g by Molmil
Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound
分子名称: 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1
著者Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E.
登録日2003-10-15
公開日2005-02-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
1R15
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BU of 1r15 by Molmil
Aplysia ADP ribosyl cyclase with bound nicotinamide and R5P
分子名称: ADP-ribosyl cyclase, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, NICOTINAMIDE
著者Love, M.L, Szebenyi, D.M.E, Kriksunov, I.A, Thiel, D.J, Munshi, C, Graeff, R, Lee, H.C, Hao, Q.
登録日2003-09-23
公開日2004-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate.
Structure, 12, 2004
5UIO
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BU of 5uio by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FORMIC ACID, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5JWD
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BU of 5jwd by Molmil
Crystal structure of H-2Db in complex with the LCMV-derived GP392-401 peptide
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A.
登録日2016-05-12
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity.
PLoS ONE, 12, 2017
1R54
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BU of 1r54 by Molmil
Crystal structure of the catalytic domain of human ADAM33
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 33, CALCIUM ION, ...
著者Orth, P, Reicher, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S.
登録日2003-10-09
公開日2004-10-12
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
分子名称: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
著者Bode, W, Renatus, M, Engh, R.A.
登録日1998-05-07
公開日1999-05-11
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
3K7H
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BU of 3k7h by Molmil
Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: Indian hedgehog protein, SULFATE ION, ZINC ION
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
5V9J
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BU of 5v9j by Molmil
Crystal structure of catalytic domain of GLP with MS0105
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ...
著者Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2017-03-23
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of catalytic domain of GLP with MS0105
to be published
5ULK
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BU of 5ulk by Molmil
Crystal Structure of RNF165 in complex with a UbcH5b~Ub conjugate
分子名称: E3 ubiquitin-protein ligase RNF165, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2, ...
著者Middleton, A.J, Day, C.L, Wright, J.D.
登録日2017-01-24
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
5VAX
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BU of 5vax by Molmil
Bcl-2 complex with Beclin 1 BH3 domain
分子名称: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
著者Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
登録日2017-03-28
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bcl-2 complex with Beclin 1 pT108 BH3 domain
To Be Published
1B3I
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BU of 1b3i by Molmil
NMR SOLUTION STRUCTURE OF PLASTOCYANIN FROM THE PHOTOSYNTHETIC PROKARYOTE, PROCHLOROTHRIX HOLLANDICA (MINIMIZED AVERAGE STRUCTURE)
分子名称: COPPER (I) ION, PROTEIN (PLASTOCYANIN)
著者Babu, C.R, Volkman, B.F, Bullerjahn, G.S.
登録日1998-12-11
公開日1999-04-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of plastocyanin from the photosynthetic prokaryote, Prochlorothrix hollandica.
Biochemistry, 38, 1999
4X3P
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BU of 4x3p by Molmil
Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, Y, Zhang, W, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
1RFO
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BU of 1rfo by Molmil
Trimeric Foldon of the T4 phagehead fibritin
分子名称: whisker antigen control protein
著者Guthe, S, Kapinos, L, Moglich, A, Meier, S, Kiefhaber, T, Grzesiek, S.
登録日2003-11-10
公開日2004-03-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Very fast folding and association of a trimerization domain from bacteriophage t4 fibritin.
J.Mol.Biol., 337, 2004
1AQL
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BU of 1aql by Molmil
CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILE-SALT ACTIVATED LIPASE, TAUROCHOLIC ACID
著者Wang, X, Zhang, X.
登録日1997-07-30
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine bile salt activated lipase: insights into the bile salt activation mechanism.
Structure, 5, 1997
1RU5
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BU of 1ru5 by Molmil
Solution structure of porcine peptide YY (pPYY)
分子名称: Peptide YY
著者Lerch, M, Mayrhofer, M, Zerbe, O.
登録日2003-12-11
公開日2004-06-08
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structural similarities of micelle-bound peptide YY (PYY) and neuropeptide Y (NPY) are related to their affinity profiles at the Y receptors.
J.Mol.Biol., 339, 2004
1R5A
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BU of 1r5a by Molmil
Glutathione S-transferase
分子名称: COPPER (II) ION, GLUTATHIONE SULFONIC ACID, glutathione transferase
著者Oakley, A.J.
登録日2003-10-09
公開日2003-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Biochem.J., 388, 2005
3K05
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BU of 3k05 by Molmil
The crystal structure of MDC1 BRCT T2067D in complex with a minimal recognition tetrapeptide with an amidated C-terminus
分子名称: GLYCEROL, Mediator of DNA damage checkpoint protein 1, phospho peptide
著者Campbell, S.J, Edwards, R.A, Glover, J.N.
登録日2009-09-24
公開日2010-03-02
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010

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