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2MSY
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BU of 2msy by Molmil
Solution structure of Hox homeodomain
分子名称: Homeobox protein Hox-C9
著者Kim, H, Park, S, Han, J, Lee, B.
登録日2014-08-11
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding.
Biochim.Biophys.Acta, 1854, 2015
3OUH
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BU of 3ouh by Molmil
PHD2-R127 with JNJ41536014
分子名称: 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ...
著者Kim, H, Clark, R.
登録日2010-09-14
公開日2010-12-01
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
8HEJ
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BU of 8hej by Molmil
Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
分子名称: 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin
著者Kim, H, Choi, S, Lee, C.
登録日2022-11-08
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
To Be Published
5B4O
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BU of 5b4o by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
分子名称: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ...
著者Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N.
登録日2016-04-07
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
5X1E
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BU of 5x1e by Molmil
Structure of DotL(656-783)-IcmS-IcmW derived from Legionella pneumophila
分子名称: IcmO (DotL), IcmS, IcmW
著者Kim, J.D, Kwak, M.J, Oh, B.H.
登録日2017-01-25
公開日2017-06-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
7P80
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BU of 7p80 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state)
分子名称: ADEP2, ATP-dependent Clp protease proteolytic subunit
著者Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
登録日2021-07-21
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
7P81
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BU of 7p81 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state)
分子名称: ADEP2, ATP-dependent Clp protease proteolytic subunit
著者Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
登録日2021-07-21
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
1Y4S
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BU of 1y4s by Molmil
Conformation rearrangement of heat shock protein 90 upon ADP binding
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein htpG, MAGNESIUM ION
著者Huai, Q, Wang, H, Liu, Y, Kim, H, Toft, D, Ke, H.
登録日2004-12-01
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the N-terminal and middle domains of E. coli Hsp90 and conformation changes upon ADP binding.
Structure, 13, 2005
6T7P
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BU of 6t7p by Molmil
human plasmakallikrein protease domain in complex with active site directed inhibitor
分子名称: (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
著者Renatus, M.
登録日2019-10-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS5
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BU of 6ts5 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
分子名称: 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
著者Renatus, M, Schiering, N.
登録日2019-12-20
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TL8
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BU of 6tl8 by Molmil
Structural basis of SALM3 dimerization and adhesion complex formation with the presynaptic receptor protein tyrosine phosphatases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Myeloid cell surface antigen CD33,Leucine-rich repeat and fibronectin type-III domain-containing protein 4
著者Karki, S, Shkumatov, A.V, Bae, S, Ko, J, Kajander, T.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of SALM3 dimerization and synaptic adhesion complex formation with PTP sigma.
Sci Rep, 10, 2020
5W0V
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BU of 5w0v by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H4 1-34
分子名称: Histone H4 1-34, Kap123
著者An, S, Yoon, J, Song, J.-J, Cho, U.-S.
登録日2017-05-31
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
2IJN
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BU of 2ijn by Molmil
Isothiazoles as active-site inhibitors of HCV NS5B polymerase
分子名称: (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE, RNA polymerase NS5B
著者Yan, S, Yao, N.
登録日2006-09-29
公開日2006-11-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 17, 2007
6RMH
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BU of 6rmh by Molmil
The Rigid-body refined model of the normal Huntingtin.
分子名称: Huntingtin
著者Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J.
登録日2019-05-06
公開日2020-06-03
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (9.6 Å)
主引用文献The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
分子名称: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
8IVU
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BU of 8ivu by Molmil
Crystal Structure of Human NAMPT in complex with A4276
分子名称: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Kang, B.G, Cha, S.S.
登録日2023-03-28
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.09000921 Å)
主引用文献Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
6IWD
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BU of 6iwd by Molmil
The PTP domain of human PTPN14 in a complex with the CR3 domain of HPV18 E7
分子名称: CHLORIDE ION, HPV18 E7, PHOSPHATE ION, ...
著者Yun, H.-Y, Kim, S.J, Ku, B.
登録日2018-12-05
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus.
Plos Biol., 17, 2019
4UIP
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BU of 4uip by Molmil
The complex structure of extracellular domain of EGFR with Repebody (rAC1).
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, EPIDERMAL GROWTH FACTOR RECEPTOR, ...
著者Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S.
登録日2015-03-31
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Enzymatic Prenylation and Oxime Ligation for the Synthesis of Stable and Homogeneous Protein-Drug Conjugates for Targeted Therapy.
Angew.Chem.Int.Ed.Engl., 54, 2015
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
8J26
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BU of 8j26 by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ...
著者Rahman, M.S, Jang, S.K, Lee, J.O.
登録日2023-04-14
公開日2023-06-21
最終更新日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
8J1Q
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BU of 8j1q by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ...
著者Rahman, M.S, Jang, S.K, Lee, J.O.
登録日2023-04-13
公開日2023-06-21
最終更新日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
5Z9G
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BU of 5z9g by Molmil
Crystal structure of KAI2
分子名称: Probable esterase KAI2
著者Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
登録日2018-02-03
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
5Z9H
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BU of 5z9h by Molmil
Crystal structure of KAI2_ply2(A219V)
分子名称: Probable esterase KAI2
著者Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
登録日2018-02-03
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
3WUU
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BU of 3wuu by Molmil
Structure basis of inactivating cell abscission with chimera peptide 1
分子名称: Centrosomal protein of 55 kDa, TEX-14
著者Kim, H.J, Matsuura, A, Lee, H.H.
登録日2014-05-05
公開日2015-07-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Structural and biochemical insights into the role of testis-expressed gene 14 (TEX14) in forming the stable intercellular bridges of germ cells.
Proc.Natl.Acad.Sci.USA, 112, 2015

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