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5HTC
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Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
分子名称: (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ...
著者Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-01-26
公開日2016-03-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
1YY4
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Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
分子名称: 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
著者Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2005-02-23
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
2GIU
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Human estrogen receptor beta ligand-binding domain in complex with compound 45
分子名称: (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta
著者Fitzgerald, P.M.D, Sharma, N.
登録日2006-03-29
公開日2006-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.
Bioorg.Med.Chem.Lett., 16, 2006
1YW2
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BU of 1yw2 by Molmil
Mutated Mus Musculus P38 Kinase (mP38)
分子名称: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14
著者Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J.
登録日2005-02-16
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
1ZCB
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BU of 1zcb by Molmil
Crystal structure of G alpha 13 in complex with GDP
分子名称: G alpha i/13, GUANOSINE-5'-DIPHOSPHATE
著者Nance, M.R, Tesmer, J.J.G.
登録日2005-04-11
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins.
Biochemistry, 45, 2006
3TG1
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BU of 3tg1 by Molmil
Crystal structure of p38alpha in complex with a MAPK docking partner
分子名称: Dual specificity protein phosphatase 10, Mitogen-activated protein kinase 14
著者Zhang, Y.Y, Wu, J.W, Wang, Z.X.
登録日2011-08-17
公開日2012-03-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献A Distinct Interaction Mode Revealed by the Crystal Structure of the Kinase p38alpha with the MAPK Binding Domain of the Phosphatase MKP5.
Sci.Signal., 4, 2011
2LSI
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BU of 2lsi by Molmil
Solution structure of polymerase-interacting domain of human Rev1 in complex with translesional synthesis polymerase kappa
分子名称: DNA polymerase kappa, DNA repair protein REV1
著者Liu, D, Ryu, K, Ko, J, Choi, B.
登録日2012-05-01
公開日2013-05-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into the scaffold mechanism of human Rev1 in translesional synthesis revealed by the structural studies on its polymerase-interacting domain
To be Published
4CRW
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BU of 4crw by Molmil
Complex of human DDX6 (RECA-C) and CNOT1 (MIF4G)
分子名称: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, GLYCEROL, PROBABLE ATP-DEPENDENT RNA HELICASE DDX6
著者Chen, Y, Boland, A, Izaurralde, E, Weichenrieder, O.
登録日2014-03-01
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Ddx6-Cnot1 Complex and W-Binding Pockets in Cnot9 Reveal Direct Links between Mirna Target Recognition and Silencing
Mol.Cell, 54, 2014
2JUF
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BU of 2juf by Molmil
NMR solution structure of PARC CPH Domain. NESG Target HR3443B/SGC-Toronto
分子名称: p53-associated parkin-like cytoplasmic protein
著者Kaustov, L, Liao, J.C.C, Lemak, S, Duan, S, Muhandiram, R, Karra, M, Srisailam, S.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Dhe-Paganon, S, Arrowsmith, C.H, Structural Genomics Consortium (SGC), Northeast Structural Genomics Consortium (NESG)
登録日2007-08-23
公開日2007-10-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of PARC CPH Domain.
To be Published
3UNF
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BU of 3unf by Molmil
Mouse 20S immunoproteasome in complex with PR-957
分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, CHLORIDE ION, IODIDE ION, ...
著者Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
登録日2011-11-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
2A5D
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BU of 2a5d by Molmil
Structural basis for the activation of cholera toxin by human ARF6-GTP
分子名称: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
著者O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
登録日2005-06-30
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
4BVE
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BU of 4bve by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE
分子名称: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
著者Gertz, M, Weyand, M, Steegborn, C.
登録日2013-06-25
公開日2013-07-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
3UNE
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BU of 3une by Molmil
Mouse constitutive 20S proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
登録日2011-11-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3QU8
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BU of 3qu8 by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine.
分子名称: 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2011-02-23
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
2P4S
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BU of 2p4s by Molmil
Structure of Purine Nucleoside Phosphorylase from Anopheles gambiae in complex with 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Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
登録日2007-03-13
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anopheles gambiae purine nucleoside phosphorylase: catalysis, structure, and inhibition.
Biochemistry, 46, 2007
2CKH
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BU of 2ckh by Molmil
SENP1-SUMO2 complex
分子名称: SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 2
著者Shen, L.N, Dong, C, Liu, H, Hay, R.T, Naismith, J.H.
登録日2006-04-18
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure of Senp1-Sumo-2 Complex Suggests a Structural Basis for Discrimination between Sumo Paralogues During Processing.
Biochem.J., 397, 2006
1Z4R
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BU of 1z4r by Molmil
Human GCN5 Acetyltransferase
分子名称: ACETYL COENZYME *A, General control of amino acid synthesis protein 5-like 2
著者Dong, A, Bernstein, G, Schuetz, A, Antoshenko, T, Wu, H, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Plotnikov, A, Structural Genomics Consortium (SGC)
登録日2005-03-16
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A
Proteins, 68, 2007
2OS5
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Macrophage migration inhibitory factor from Ancylostoma ceylanicum
分子名称: AceMIF, SULFATE ION
著者Cho, Y, Lolis, E.
登録日2007-02-05
公開日2007-06-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of a secreted hookworm Macrophage Migration Inhibitory Factor (MIF) that interacts with the human MIF receptor CD74.
J.Biol.Chem., 282, 2007
2LSK
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BU of 2lsk by Molmil
C-terminal domain of human REV1 in complex with DNA-polymerase H (eta)
分子名称: DNA polymerase eta, DNA repair protein REV1
著者Pozhidaeva, A, Pustovalova, Y, Bezsonova, I, Korzhnev, D.
登録日2012-05-01
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure and dynamics of the C-terminal domain from human Rev1 and its complex with Rev1 interacting region of DNA polymerase eta.
Biochemistry, 51, 2012
4EW2
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The structure of human glycinamide ribonucleotide transformylase in complex with 10S-methylthio-DDATHF.
分子名称: N-({4-[(1S)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid, PHOSPHATE ION, SULFATE ION, ...
著者Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A.
登録日2012-04-26
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
4EWI
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BU of 4ewi by Molmil
Crystal structure of the NLRP4 Pyrin domain
分子名称: CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ...
著者Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W.
登録日2012-04-27
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
2D11
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BU of 2d11 by Molmil
Crystal structure of the Radixin FERM domain complexed with the NHERF-2 C-terminal tail peptide
分子名称: Na(+)/H(+) exchange regulatory cofactor NHE-RF2, Radixin
著者Terawaki, S, Maesaki, R, Hakoshima, T.
登録日2005-08-11
公開日2006-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for NHERF recognition by ERM proteins
Structure, 14, 2006
2A5G
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Cholera toxin A1 subunit bound to ARF6(Q67L)
分子名称: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
著者O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
登録日2005-06-30
公開日2005-08-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
2GTM
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Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579
分子名称: 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M.
登録日2006-04-28
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
4M2S
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Corrected Structure of Mouse P-glycoprotein bound to QZ59-RRR
分子名称: (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1A
著者Li, J, Jaimes, K.F, Aller, S.G.
登録日2013-08-05
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014

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