PDB: 46006 resultsInfo pagesStatus searchChemie searchBIRD

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4I20	Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain Descriptor: Epidermal growth factor receptor Authors: Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. Deposit date: 2012-11-21 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.34 Å) Cite: Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
4I24	Structure of T790M EGFR kinase domain co-crystallized with dacomitinib Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor Authors: Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. Deposit date: 2012-11-21 Release date: 2013-01-16 Last modified: 2013-02-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
4HY2	Crystal structure of Plk1 Polo-box domain in complex with PL-42 Descriptor: PL-42, Serine/threonine-protein kinase PLK1 Authors: Lee, W.C, Song, J.H, Kim, H.Y. Deposit date: 2012-11-12 Release date: 2013-04-03 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. Bioorg.Med.Chem., 21, 2013
1JMG	CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE Authors: Finer-Moore, J, Stroud, R.M. Deposit date: 1997-09-13 Release date: 1998-01-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase. J.Mol.Biol., 276, 1998
1JBT	CRYSTAL STRUCTURE OF RIBOTOXIN RESTRICTOCIN COMPLEXED WITH A 29-MER SARCIN/RICIN DOMAIN RNA ANALOG Descriptor: 29-MER SARCIN/RICIN DOMAIN RNA ANALOG, POTASSIUM ION, RESTRICTOCIN Authors: Yang, X, Gerczei, T, Glover, L, Correll, C.C. Deposit date: 2001-06-06 Release date: 2001-10-26 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structures of restrictocin-inhibitor complexes with implications for RNA recognition and base flipping. Nat.Struct.Biol., 8, 2001
1TH8	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 Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ... Authors: Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigian, J, Leon, F, Darst, S.A, Campbell, E.A. Deposit date: 2004-06-01 Release date: 2004-06-15 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.4 Å) Cite: 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	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-02 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 Authors: Liu, J. Deposit date: 2012-01-03 Release date: 2012-03-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
1JBR	Crystal Structure of the Ribotoxin Restrictocin and a 31-mer SRD RNA Inhibitor Descriptor: 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', ... Authors: Yang, X, Gerczei, T, Glover, L, Correll, C.C. Deposit date: 2001-06-06 Release date: 2001-10-26 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal structures of restrictocin-inhibitor complexes with implications for RNA recognition and base flipping. Nat.Struct.Biol., 8, 2001
2NRR	Crystal structure of the C-terminal RNAseH endonuclase domain of UvrC Descriptor: UvrABC system protein C Authors: Karakas, E, Truglio, J.J, Kisker, C. Deposit date: 2006-11-02 Release date: 2007-02-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: 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	EGFR L858R/T790M in complex with PD168393 Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide Authors: Yun, C.H, Eck, M.J. Deposit date: 2013-07-09 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (4 Å) Cite: Mechanism for activation of mutated epidermal growth factor receptors in lung cancer. Proc.Natl.Acad.Sci.USA, 110, 2013
2NRX	Crystal structure of the C-terminal half of UvrC, in the presence of sulfate molecules Descriptor: GLYCEROL, SULFATE ION, UvrABC system protein C Authors: Karakas, E, Truglio, J.J, Kisker, C. Deposit date: 2006-11-02 Release date: 2007-02-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 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	Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A Descriptor: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE Authors: Mirza, I.A, Berghuis, A.M. Deposit date: 2012-11-28 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A. Plos One, 8, 2013
1JIZ	Crystal Structure Analysis of human Macrophage Elastase MMP-12 Descriptor: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, ZINC ION, ... Authors: Nar, H, Werle, K, Bauer, M.M.T, Dollinger, H, Jung, B. Deposit date: 2001-07-03 Release date: 2002-07-03 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of human macrophage elastase (MMP-12) in complex with a hydroxamic acid inhibitor. J.Mol.Biol., 312, 2001
4HTT	Crystal Structure of Twin Arginine Translocase Receptor- TatC in DDM Descriptor: Sec-independent protein translocase protein TatC, Lysozyme Authors: Ramasamy, S, Suloway, C.J.M, Clemons Jr, W.M. Deposit date: 2012-11-01 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (6.8 Å) Cite: The Glove-like Structure of the Conserved Membrane Protein TatC Provides Insight into Signal Sequence Recognition in Twin-Arginine Translocation. Structure, 21, 2013
4I22	Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib Descriptor: Epidermal growth factor receptor, Gefitinib, SULFATE ION Authors: Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. Deposit date: 2012-11-21 Release date: 2013-01-16 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition. Structure, 21, 2013
4LGB	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 Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ... Authors: 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. Deposit date: 2013-06-27 Release date: 2013-08-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.15 Å) Cite: An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
4LFX	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 Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ... Authors: Vergara, A, Merlino, A. Deposit date: 2013-06-27 Release date: 2013-10-02 Last modified: 2013-10-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The mode of action of anticancer gold-based drugs: a structural perspective. Chem.Commun.(Camb.), 49, 2013
4LFP	X-ray structure of the adduct between hen egg white lysozyme and a homoleptic gold(I) complex with the saccharynate ligand Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ... Authors: Vergara, A, Merlino, A. Deposit date: 2013-06-27 Release date: 2013-10-02 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.72 Å) Cite: The mode of action of anticancer gold-based drugs: a structural perspective. Chem.Commun.(Camb.), 49, 2013
4LG5	ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1 Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ... Authors: 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. Deposit date: 2013-06-27 Release date: 2013-08-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.88 Å) Cite: An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
4LGA	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 Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ... Authors: 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. Deposit date: 2013-06-27 Release date: 2013-08-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
4LKM	Crystal structure of Plk1 Polo-box domain in complex with PL-74 Descriptor: GLYCEROL, PL-74, SULFATE ION, ... Authors: Lee, W.C, Song, J.H, Kim, H.Y. Deposit date: 2013-07-08 Release date: 2013-12-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1 Plos One, 8, 2013
4LKL	Crystal structure of Plk1 Polo-box domain in complex with PL-55 Descriptor: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1 Authors: Lee, W.C, Song, J.H, Kim, H.Y. Deposit date: 2013-07-08 Release date: 2013-12-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1 Plos One, 8, 2013
2NRV	Crystal structure of the C-terminal half of UvrC Descriptor: SODIUM ION, UvrABC system protein C Authors: Karakas, E, Truglio, J.J, Kisker, C. Deposit date: 2006-11-02 Release date: 2007-02-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 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	Semi-reduced Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana Descriptor: SULFATE ION, cyclic phosphodiesterase Authors: Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A. Deposit date: 2001-06-27 Release date: 2002-02-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 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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