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4I20
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Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain
分子名称: Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I24
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BU of 4i24 by Molmil
Structure of T790M EGFR kinase domain co-crystallized with dacomitinib
分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4HY2
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BU of 4hy2 by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-42
分子名称: PL-42, Serine/threonine-protein kinase PLK1
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2012-11-12
公開日2013-04-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1.
Bioorg.Med.Chem., 21, 2013
1JMG
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BU of 1jmg by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-13
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JBT
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CRYSTAL STRUCTURE OF RIBOTOXIN RESTRICTOCIN COMPLEXED WITH A 29-MER SARCIN/RICIN DOMAIN RNA ANALOG
分子名称: 29-MER SARCIN/RICIN DOMAIN RNA ANALOG, POTASSIUM ION, RESTRICTOCIN
著者Yang, X, Gerczei, T, Glover, L, Correll, C.C.
登録日2001-06-06
公開日2001-10-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of restrictocin-inhibitor complexes with implications for RNA recognition and base flipping.
Nat.Struct.Biol., 8, 2001
1TH8
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BU of 1th8 by Molmil
Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: inhibitory complex with ADP, crystal form II
分子名称: ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ...
著者Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigian, J, Leon, F, Darst, S.A, Campbell, E.A.
登録日2004-06-01
公開日2004-06-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA.
J.Mol.Biol., 340, 2004
3VBX
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BU of 3vbx by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VC4
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Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-03
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
1JBR
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BU of 1jbr by Molmil
Crystal Structure of the Ribotoxin Restrictocin and a 31-mer SRD RNA Inhibitor
分子名称: 31-mer SRD RNA analog, 5'-R(*GP*CP*GP*CP*UP*CP*CP*UP*CP*AP*GP*UP*AP*CP*GP*AP*GP*(A23))-3', 5'-R(*GP*GP*AP*AP*CP*CP*GP*GP*AP*GP*CP*GP*C)-3', ...
著者Yang, X, Gerczei, T, Glover, L, Correll, C.C.
登録日2001-06-06
公開日2001-10-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of restrictocin-inhibitor complexes with implications for RNA recognition and base flipping.
Nat.Struct.Biol., 8, 2001
2NRR
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BU of 2nrr by Molmil
Crystal structure of the C-terminal RNAseH endonuclase domain of UvrC
分子名称: UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
4LL0
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BU of 4ll0 by Molmil
EGFR L858R/T790M in complex with PD168393
分子名称: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2013-07-09
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Mechanism for activation of mutated epidermal growth factor receptors in lung cancer.
Proc.Natl.Acad.Sci.USA, 110, 2013
2NRX
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BU of 2nrx by Molmil
Crystal structure of the C-terminal half of UvrC, in the presence of sulfate molecules
分子名称: GLYCEROL, SULFATE ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
4I58
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BU of 4i58 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
1JIZ
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Crystal Structure Analysis of human Macrophage Elastase MMP-12
分子名称: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, ZINC ION, ...
著者Nar, H, Werle, K, Bauer, M.M.T, Dollinger, H, Jung, B.
登録日2001-07-03
公開日2002-07-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human macrophage elastase (MMP-12) in complex with a hydroxamic acid inhibitor.
J.Mol.Biol., 312, 2001
4HTT
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BU of 4htt by Molmil
Crystal Structure of Twin Arginine Translocase Receptor- TatC in DDM
分子名称: Sec-independent protein translocase protein TatC, Lysozyme
著者Ramasamy, S, Suloway, C.J.M, Clemons Jr, W.M.
登録日2012-11-01
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (6.8 Å)
主引用文献The Glove-like Structure of the Conserved Membrane Protein TatC Provides Insight into Signal Sequence Recognition in Twin-Arginine Translocation.
Structure, 21, 2013
4I22
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Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
分子名称: Epidermal growth factor receptor, Gefitinib, SULFATE ION
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LFX
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BU of 4lfx by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
分子名称: CHLORIDE ION, GOLD ION, Lysozyme C, ...
著者Vergara, A, Merlino, A.
登録日2013-06-27
公開日2013-10-02
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
4LFP
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BU of 4lfp by Molmil
X-ray structure of the adduct between hen egg white lysozyme and a homoleptic gold(I) complex with the saccharynate ligand
分子名称: CHLORIDE ION, GOLD ION, Lysozyme C, ...
著者Vergara, A, Merlino, A.
登録日2013-06-27
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
4LG5
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BU of 4lg5 by Molmil
ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LGA
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BU of 4lga by Molmil
ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LKM
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BU of 4lkm by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-74
分子名称: GLYCEROL, PL-74, SULFATE ION, ...
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2013-07-08
公開日2013-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
4LKL
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Crystal structure of Plk1 Polo-box domain in complex with PL-55
分子名称: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2013-07-08
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
2NRV
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BU of 2nrv by Molmil
Crystal structure of the C-terminal half of UvrC
分子名称: SODIUM ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
1JH6
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Semi-reduced Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana
分子名称: SULFATE ION, cyclic phosphodiesterase
著者Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A.
登録日2001-06-27
公開日2002-02-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the semireduced and inhibitor-bound forms of cyclic nucleotide phosphodiesterase from Arabidopsis thaliana.
J.Biol.Chem., 277, 2002

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