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1UEF
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BU of 1uef by Molmil
Crystal Structure of Dok1 PTB Domain Complex
分子名称: 13-mer peptide from Proto-oncogene tyrosine-protein kinase receptor ret, Docking protein 1
著者Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yan, J, Rao, Z.
登録日2003-05-14
公開日2004-05-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.Biol.Chem., 279, 2004
5HGU
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BU of 5hgu by Molmil
Crystal structure of human transcription factor TEAD2 in complex with palmitate
分子名称: PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Luo, X, Xiao, H.
登録日2016-01-08
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Autopalmitoylation of TEAD proteins regulates transcriptional output of the Hippo pathway.
Nat.Chem.Biol., 12, 2016
5M02
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BU of 5m02 by Molmil
Crystal structure of murine P14 TCR / H-2Db with PF, modified gp33 peptide from LCMV
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Achour, A, Sandalova, T, Sun, R.
登録日2016-10-03
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
分子名称: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3ION
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BU of 3ion by Molmil
PDK1 in complex with Compound 8h
分子名称: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
分子名称: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
著者LIU, S, HAN, X, LUO, X.
登録日2018-02-09
公開日2020-07-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
著者Zhang, X, Yu, D, Wang, T.
登録日2019-02-27
公開日2020-03-04
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
3LPC
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BU of 3lpc by Molmil
Crystal structure of a subtilisin-like protease
分子名称: ACETATE ION, AprB2, CALCIUM ION, ...
著者Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
登録日2010-02-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
3LPA
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BU of 3lpa by Molmil
Crystal structure of a subtilisin-like protease
分子名称: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION
著者Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
登録日2010-02-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
3LPD
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BU of 3lpd by Molmil
Crystal structure of a subtilisin-like protease
分子名称: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION
著者Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
登録日2010-02-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
6LNK
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BU of 6lnk by Molmil
Candida albicans Fructose-1,6-bisphosphate aldolase
分子名称: 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION
著者Huang, Y, Cao, H, Ren, Y, Wan, J.
登録日2019-12-30
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
6VN2
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BU of 6vn2 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 18
分子名称: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN3
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BU of 6vn3 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 23
分子名称: 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN6
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BU of 6vn6 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 14
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
3WGN
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BU of 3wgn by Molmil
STAPHYLOCOCCUS AUREUS FTSZ bound with GTP-gamma-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ
著者Matsui, T, Mogi, N, Tanaka, I, Yao, M.
登録日2013-08-06
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop
J.Biol.Chem., 289, 2014
6VN5
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BU of 6vn5 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 7
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN4
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BU of 6vn4 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 1
分子名称: 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
3WGJ
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BU of 3wgj by Molmil
STAPHYLOCOCCUS AUREUS FTSZ T7 chimera mutant, T7Bs
分子名称: CALCIUM ION, Cell division protein FtsZ
著者Matsui, T, Tanaka, I, Yao, M.
登録日2013-08-06
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.179 Å)
主引用文献Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop
J.Biol.Chem., 289, 2014
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
分子名称: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A, Dunten, P.
登録日2008-06-19
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
分子名称: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
著者Kuglstatter, A, Shao, A.
登録日2013-01-30
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5J5N
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BU of 5j5n by Molmil
Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase PtGSTU30 in complex with glutathione
分子名称: GLUTATHIONE, Glutathione transferase family protein
著者Yang, Q, Gu, J, Yang, M, Zeng, Q.
登録日2016-04-03
公開日2017-04-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.629 Å)
主引用文献Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5DBI
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Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial
分子名称: (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2015-08-21
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015

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