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8FBV
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BU of 8fbv by Molmil
Compound 7 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-30
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9D
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BU of 8f9d by Molmil
Compound 21 bound to procaspase-6
分子名称: 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F96
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BU of 8f96 by Molmil
Compound 3 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
分子名称: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-18
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F98
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BU of 8f98 by Molmil
Compound 8 bound to procaspase-6
分子名称: 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
著者Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
登録日2022-11-23
公開日2023-12-13
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
4PW8
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BU of 4pw8 by Molmil
Human tryptophan 2,3-dioxygenase
分子名称: COBALT (II) ION, Tryptophan 2,3-dioxygenase
著者Meng, B, Wu, D, Gu, J.H, Ouyang, S.Y, Ding, W, Liu, Z.J.
登録日2014-03-19
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural and functional analyses of human tryptophan 2,3-dioxygenase
Proteins, 82, 2014
6ZTR
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BU of 6ztr by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324)
分子名称: CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ...
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTB
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BU of 6ztb by Molmil
Crystal Structure of human P-Cadherin EC1_EC2
分子名称: CALCIUM ION, Cadherin-3, SODIUM ION
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-17
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTF
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BU of 6ztf by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684
分子名称: CQY684 Fab heavy-chain, CQY684 Fab light-chain
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
分子名称: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
分子名称: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6J9O
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BU of 6j9o by Molmil
Crystal structure of a free scFv molecule from a group 2 influenza A viruses HA binding antibody AF4H1K1
分子名称: Heavy chain of AF4H1K1 scFv, Light chain of AF4H1K1 scFv
著者Xiao, H.X, Qi, J.X, Gao, F.G.
登録日2019-01-23
公開日2020-01-29
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Light chain modulates heavy chain conformation to change protection profile of monoclonal antibodies against influenza A viruses.
Cell Discov, 5, 2019
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
8YLB
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BU of 8ylb by Molmil
Cocrystal structures of agonists compound 1 with HsClpP
分子名称: 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Zhao, N, Zhu, Y, Bao, R.
登録日2024-03-06
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-28
公開日2012-10-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4P59
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BU of 4p59 by Molmil
HER3 extracellular domain in complex with Fab fragment of MOR09825
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, MOR09825 Fab fragment heavy chain, ...
著者Sprague, E.R.
登録日2014-03-15
公開日2014-04-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin.
Cancer Res., 73, 2013
7VQQ
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BU of 7vqq by Molmil
Cryo-EM structure of amyloid fibril formed by FUS low complexity domain
分子名称: fusion protein of mCerulean and FUS LCD
著者Sun, Y.P, Xia, W.C, Liu, C.
登録日2021-10-20
公開日2021-12-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular structure of an amyloid fibril formed by FUS low-complexity domain.
Iscience, 25, 2022
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
著者Sprague, E.R, McNamara, J.T.
登録日2015-12-10
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
分子名称: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
著者Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
登録日2013-07-05
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LJY
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BU of 4ljy by Molmil
Crystal structure of RNA splicing effector Prp5 in complex with ADP
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
登録日2013-07-05
公開日2013-12-11
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
4JND
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BU of 4jnd by Molmil
Structure of a C.elegans sex determining protein
分子名称: Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION
著者Feng, Y, Zhang, Y, Ge, J, Yang, M.
登録日2013-03-15
公開日2013-06-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Structural insight into Caenorhabditis elegans sex-determining protein FEM-2.
J.Biol.Chem., 288, 2013

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