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2BKK
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BU of 2bkk by Molmil
Crystal structure of Aminoglycoside Phosphotransferase APH(3')-IIIa in complex with the inhibitor AR_3a
分子名称: ADENOSINE-5'-DIPHOSPHATE, AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE, DESIGNED ANKYRIN REPEAT INHIBITOR AR_3A, ...
著者Kohl, A, Amstutz, P, Parizek, P, Binz, H.K, Briand, C, Capitani, G, Forrer, P, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Allosteric Inhibition of Aminoglycoside Phosphotransferase by a Designed Ankyrin Repeat Protein
Structure, 13, 2005
1MJ0
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BU of 1mj0 by Molmil
SANK E3_5: an artificial Ankyrin repeat protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SANK E3_5 Protein, SULFATE ION
著者Kohl, A, Binz, H.K, Forrer, P, Stumpp, M.T, Plueckthun, A, Gruetter, M.G.
登録日2002-08-26
公開日2003-01-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Designed to be stable: Crystal structure of a consensus ankyrin repeat protein
Proc.Natl.Acad.Sci.USA, 100, 2003
3M99
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BU of 3m99 by Molmil
Structure of the Ubp8-Sgf11-Sgf73-Sus1 SAGA DUB module
分子名称: Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ...
著者Kohler, A, Zimmerman, E, Schneider, M, Hurt, E, Zheng, N.
登録日2010-03-21
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for assembly and activation of the heterotetrameric SAGA histone H2B deubiquitinase module.
Cell(Cambridge,Mass.), 141, 2010
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
分子名称: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9H
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BU of 4i9h by Molmil
Crystal structure of rabbit LDHA in complex with AP28669
分子名称: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I8X
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BU of 4i8x by Molmil
Crystal structure of rabbit LDHA in complex with AP27460
分子名称: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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BU of 4i9n by Molmil
Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
2BKG
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BU of 2bkg by Molmil
Crystal structure of E3_19 a designed ankyrin repeat protein
分子名称: SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19
著者Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2006-06-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability
Proteins: Struct., Funct., Bioinf., 65, 2006
1SVX
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BU of 1svx by Molmil
Crystal structure of a designed selected Ankyrin Repeat protein in complex with the Maltose Binding Protein
分子名称: Ankyrin Repeat Protein off7, Maltose-binding periplasmic protein
著者Binz, H.K, Amstutz, P, Kohl, A, Stumpp, M.T, Briand, C, Forrer, P, Gruetter, M.G, Plueckthun, A.
登録日2004-03-30
公開日2004-05-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献High-affinity binders selected from designed ankyrin repeat protein libraries
NAT.BIOTECHNOL., 22, 2004
2UUH
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BU of 2uuh by Molmil
Crystal structure of Human Leukotriene C4 Synthase in complex with substrate glutathione
分子名称: DODECYL-ALPHA-D-MALTOSIDE, GLUTATHIONE, LEUKOTRIENE C4 SYNTHASE, ...
著者Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P.
登録日2007-03-02
公開日2007-07-17
最終更新日2011-12-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
2UUI
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BU of 2uui by Molmil
Crystal structure of Human Leukotriene C4 Synthase
分子名称: DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ...
著者Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P.
登録日2007-03-02
公開日2007-07-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
2IUB
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BU of 2iub by Molmil
Crystal structure of a divalent metal ion transporter CorA at 2.9 A resolution.
分子名称: CHLORIDE ION, DIVALENT CATION TRANSPORT-RELATED PROTEIN, MAGNESIUM ION
著者Eshaghi, S, Niegowski, D, Kohl, A, Martinez Molina, D, Lesley, S.A, Nordlund, P.
登録日2006-06-01
公開日2006-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Divalent Metal Ion Transporter Cora at 2.9 Angstrom Resolution.
Science, 313, 2006
1PN5
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BU of 1pn5 by Molmil
NMR structure of the NALP1 Pyrin domain (PYD)
分子名称: NACHT-, LRR- and PYD-containing protein 2
著者Hiller, S, Kohl, A, Fiorito, F, Herrmann, T, Wider, G, Tschopp, J, Grutter, M.G, Wuthrich, K.
登録日2003-06-12
公開日2003-10-07
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain
Structure, 11, 2003
1G0U
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BU of 1g0u by Molmil
A GATED CHANNEL INTO THE PROTEASOME CORE PARTICLE
分子名称: MAGNESIUM ION, PROTEASOME COMPONENT C1, PROTEASOME COMPONENT C11, ...
著者Groll, M, Bajorek, M, Kohler, A, Moroder, L, Rubin, D.M, Huber, R, Glickman, M.H, Finley, D.
登録日2000-10-09
公開日2000-11-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A gated channel into the proteasome core particle.
Nat.Struct.Biol., 7, 2000
4TRQ
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BU of 4trq by Molmil
Crystal structure of Sac3/Thp1/Sem1
分子名称: 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ...
著者Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T.
登録日2014-06-17
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression.
Cell, 162, 2015
3ZD6
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BU of 3zd6 by Molmil
Snapshot 1 of RIG-I scanning on RNA duplex
分子名称: PROBABLE ATP-DEPENDENT RNA HELICASE DDX58, RNA DUPLEX, ZINC ION
著者Luo, D, Pyle, A.M.
登録日2012-11-25
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Defining the Functional Determinants for RNA Surveillance by Rig-I.
Embo Rep., 14, 2013
3ZD7
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BU of 3zd7 by Molmil
Snapshot 3 of RIG-I scanning on RNA duplex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROBABLE ATP-DEPENDENT RNA HELICASE DDX58, ...
著者Luo, D, Pyle, A.M.
登録日2012-11-25
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Defining the Functional Determinants for RNA Surveillance by Rig-I.
Embo Rep., 14, 2013
6W44
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BU of 6w44 by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4
分子名称: 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W45
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BU of 6w45 by Molmil
Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3
分子名称: 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W4C
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BU of 6w4c by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
分子名称: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
3KIK
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BU of 3kik by Molmil
Sgf11:Sus1 complex
分子名称: Protein SUS1, SAGA-associated factor 11
著者Stewart, M, Ellisdon, A.M.
登録日2009-11-02
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1
J.Biol.Chem., 285, 2010
4U0I
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BU of 4u0i by Molmil
Crystal structure of KIT in complex with ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2014-07-11
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ponatinib Inhibits Polyclonal Drug-Resistant KIT Oncoproteins and Shows Therapeutic Potential in Heavily Pretreated Gastrointestinal Stromal Tumor (GIST) Patients.
Clin.Cancer Res., 20, 2014
5Y63
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BU of 5y63 by Molmil
Crystal structure of Enterococcus faecalis AhpC
分子名称: Alkyl hydroperoxide reductase, C subunit
著者Pan, A, Balakrishna, A.M, Grueber, G.
登録日2017-08-10
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Atomic structure and enzymatic insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit C
Free Radic. Biol. Med., 115, 2017
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W, Hu, Y.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
7T4I
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Crystal Structure of wild type EGFR in complex with TAK-788
分子名称: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
著者Skene, R.J, Lane, W.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022

 

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