8ARL
 
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3OXZ
 | | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | | 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, Tyrosine-protein kinase ABL1 | | 著者 | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | | 登録日 | 2010-09-22 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
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7V26
 | | XG005-bound SARS-CoV-2 S | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ... | | 著者 | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | | 登録日 | 2021-08-07 | | 公開日 | 2021-10-20 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
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2AV1
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3RAF
 | | Quinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | | 分子名称: | 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ... | | 著者 | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2011-03-28 | | 公開日 | 2012-03-28 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
To be Published
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8STG
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | 登録日 | 2011-05-03 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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3V6P
 | | Crystal structure of the DNA-binding domain of dHax3, a TAL effector | | 分子名称: | dHax3 | | 著者 | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Shi, Y.G, Yan, N. | | 登録日 | 2011-12-20 | | 公開日 | 2012-01-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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3V6T
 | | Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom | | 分子名称: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), dHax3 | | 著者 | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Yan, N, Shi, Y.G. | | 登録日 | 2011-12-20 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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4YDD
 | | Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Tsai, C.-L, Youngblut, M.D, Tainer, J.A. | | 登録日 | 2015-02-21 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | 分子名称: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | 著者 | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | 登録日 | 2012-11-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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8CM9
 | | Structure of human O-GlcNAc transferase in complex with UDP and tP11 | | 分子名称: | PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | | 著者 | Meek, R.W, Davies, G.J. | | 登録日 | 2023-02-18 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Phage display uncovers a sequence motif that drives polypeptide binding to a conserved regulatory exosite of O-GlcNAc transferase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6W73
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6WEK
 | | Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs | | 分子名称: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | | 著者 | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | 登録日 | 2020-04-02 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-22 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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6WEL
 | | Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs | | 分子名称: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | | 著者 | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | 登録日 | 2020-04-02 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-22 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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6WEJ
 | | Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs | | 分子名称: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | | 著者 | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | 登録日 | 2020-04-02 | | 公開日 | 2020-06-03 | | 最終更新日 | 2020-07-22 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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4KOE
 | | Quinolone(Trovafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | | 分子名称: | DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, E-site DNA1, ... | | 著者 | Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2013-05-11 | | 公開日 | 2014-11-26 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
To be Published
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3OY1
 | | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | | 分子名称: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | | 著者 | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | | 登録日 | 2010-09-22 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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3OXI
 | | Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases | | 分子名称: | Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate | | 著者 | Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
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3Q1R
 | | Crystal structure of a bacterial RNase P holoenzyme in complex with TRNA and in the presence of 5' leader | | 分子名称: | MAGNESIUM ION, RNase P RNA, Ribonuclease P protein component, ... | | 著者 | Reiter, N.J, Ostermanm, A, Torres-Larios, A, Swinger, K.K, Pan, T, Mondragon, A. | | 登録日 | 2010-12-17 | | 公開日 | 2011-03-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (4.21 Å) | | 主引用文献 | Structure of a Bacterial Ribonuclease P Holoenzyme in Complex with tRNA.
Nature, 468, 2010
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3PTG
 | | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | | 登録日 | 2010-12-02 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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3Q1Q
 | | Structure of a Bacterial Ribonuclease P Holoenzyme in Complex with tRNA | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, RNase P RNA, ... | | 著者 | Reiter, N.J, Osterman, A, Torres-Larios, A, Swinger, K.K, Pan, T, Mondragon, A. | | 登録日 | 2010-12-17 | | 公開日 | 2011-03-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structure of a Bacterial Ribonuclease P Holoenzyme in Complex with tRNA.
Nature, 468, 2010
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | 登録日 | 2012-11-28 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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4IX3
 | | Crystal structure of a Stt7 homolog from Micromonas algae | | 分子名称: | MAGNESIUM ION, MsStt7d protein | | 著者 | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | 登録日 | 2013-01-24 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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2H8K
 | | Human Sulfotranferase SULT1C3 in complex with PAP | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, SULT1C3 splice variant d | | 著者 | Tempel, W, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2006-06-07 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
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