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2RM0
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FBP28WW2 domain in complex with a PPPLIPPPP peptide
分子名称: Formin-1, Transcription elongation regulator 1
著者Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
登録日2007-09-06
公開日2007-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
7P3S
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BU of 7p3s by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12
分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
著者Shaik, T.B, Romier, C.
登録日2021-07-08
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Eur.J.Med.Chem., 225, 2021
2RLY
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BU of 2rly by Molmil
FBP28WW2 domain in complex with PTPPPLPP peptide
分子名称: Formin-1, Transcription elongation regulator 1
著者Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
登録日2007-09-03
公開日2007-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
7ONI
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BU of 7oni by Molmil
Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2*
分子名称: Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ...
著者Kostrhon, S.P, prabu, J.R, Schulman, B.A.
登録日2021-05-25
公開日2021-09-15
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
4HCA
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BU of 4hca by Molmil
DNA binding by GATA transcription factor-complex 1
分子名称: DNA (5'-D(*AP*AP*TP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*A)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ...
著者Chen, Y, Bates, D.L, Dey, R, Chen, L.
登録日2012-09-28
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation.
Cell Rep, 2, 2012
4HCP
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BU of 4hcp by Molmil
crystal structure of Burkholderia pseudomallei effector protein chbp in complex with nedd8
分子名称: GLYCEROL, NEDD8, Putative ATP/GTP binding protein, ...
著者Yao, Q, Shao, F.
登録日2012-10-01
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4B24
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BU of 4b24 by Molmil
Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2
分子名称: 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2
著者Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M.
登録日2012-07-12
公開日2013-01-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2.
Structure, 21, 2013
2CLZ
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BU of 2clz by Molmil
Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide
分子名称: BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ...
著者Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B.
登録日2006-05-03
公開日2006-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
4FKP
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BU of 4fkp by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
分子名称: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
著者Kang, Y.N, Stuckey, J.A.
登録日2012-06-13
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
1QIP
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BU of 1qip by Molmil
HUMAN GLYOXALASE I COMPLEXED WITH S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE
分子名称: BETA-MERCAPTOETHANOL, PROTEIN (LACTOYLGLUTATHIONE LYASE), S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE, ...
著者Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B.
登録日1999-06-14
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
4I3Z
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BU of 4i3z by Molmil
Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Cyclin-A2, ...
著者Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks, C.L, Young, M.A.
登録日2012-11-27
公開日2012-12-26
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Price To Be Paid for Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release from a Protein Kinase
J.Am.Chem.Soc., 134, 2012
3ELO
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BU of 3elo by Molmil
Crystal Structure of Human Pancreatic Prophospholipase A2
分子名称: Phospholipase A2, SULFATE ION
著者Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J.
登録日2008-09-22
公開日2009-04-14
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
1E9J
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BU of 1e9j by Molmil
SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78]
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN
著者Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G.
登録日2000-10-18
公開日2002-07-25
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin.
Biochemistry, 39, 2000
7C6U
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BU of 7c6u by Molmil
Crystal structure of SARS-CoV-2 complexed with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Fu, L, Feng, Y, Qi, J, Gao, F.G.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
1QIN
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BU of 1qin by Molmil
HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE
分子名称: PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION
著者Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B.
登録日1999-06-14
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
4GCJ
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BU of 4gcj by Molmil
CDK2 in complex with inhibitor RC-3-89
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2012-07-30
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
4G7L
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BU of 4g7l by Molmil
Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-20
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4G99
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BU of 4g99 by Molmil
Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
4IEA
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BU of 4iea by Molmil
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
分子名称: 14-3-3 protein sigma, RAF proto-oncogene serine/threonine-protein kinase
著者Molzan, M, Ottmann, C.
登録日2012-12-13
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
3D85
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BU of 3d85 by Molmil
Crystal structure of IL-23 in complex with neutralizing FAB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ...
著者Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
登録日2008-05-22
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
4II5
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BU of 4ii5 by Molmil
Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A.
登録日2012-12-19
公開日2013-01-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
4IM3
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BU of 4im3 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.342 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5001 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IQ6
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Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
分子名称: 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta
著者Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D.
登録日2013-01-10
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013

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