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7C8T
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BU of 7c8t by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
7CGA
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BU of 7cga by Molmil
Crystal structure of human unphosphorylated p38gamma
分子名称: Mitogen-activated protein kinase 12
著者Lee, C.C, Hsu, S.F, Chen, K.E, Wang, A.H.J, Meng, T.C.
登録日2020-06-30
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis for allosteric regulation of protein tyrosine phosphatase PTPN3 by unphosphorylated MAP kinase p38g
To be published
7DOH
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BU of 7doh by Molmil
Crystal Structure of GD-26 Fab in Complex with TD Peptide from Haloarcula Marismortui Bacteriorhodopsin I
分子名称: GD-26 Fab H-chain, GD-26 Fab L-chain, GLY-THR-GLY-ALA-THR-PRO-ALA-ASP-ASP
著者Lee, C.C, Pao, P.J, Wang, A.H.J.
登録日2020-12-14
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of an epitope tagging system derived from Haloarcula marismortui bacteriorhodopsin I D94N and its monoclonal antibody GD-26.
Febs J., 289, 2022
7C8R
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BU of 7c8r by Molmil
Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770
分子名称: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Lee, C.C, Wang, A.H.J, Kuo, C.J, Liang, P.H.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
To Be Published
7CHY
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BU of 7chy by Molmil
Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26
分子名称: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26, light chain of antibody binding fragment of IgG26
著者Lee, C.C, Wang, A.H.J, Kuo, W.C.
登録日2020-07-06
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP.
J.Mol.Biol., 433, 2020
7CHZ
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BU of 7chz by Molmil
Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26A
分子名称: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26A, light chain of antibody binding fragment of IgG26A
著者Lee, C.C, Wang, A.H.J, Kuo, W.C.
登録日2020-07-06
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP.
J.Mol.Biol., 433, 2020
5Z1X
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BU of 5z1x by Molmil
Crystal Structure of Laccase from Cerrena sp. RSD1
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, COPPER (II) ION, ...
著者Lee, C.C, Wu, M.H, Ho, T.H, Wang, A.H.J.
登録日2017-12-28
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kinetic analysis and structural studies of a high-efficiency laccase fromCerrenasp. RSD1.
FEBS Open Bio, 8, 2018
5Z22
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BU of 5z22 by Molmil
Crystal Structure of Laccase from Cerrena sp. RSD1
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, COPPER (II) ION, ...
著者Lee, C.C, Wu, M.H, Ho, T.H, Wang, A.H.J.
登録日2017-12-28
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhancement of laccase activity by pre-incubation with organic solvents.
Sci Rep, 9, 2019
6O0B
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BU of 6o0b by Molmil
Structural and Mechanistic Insights into CO2 Activation by Nitrogenase Iron Protein
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron protein
著者Rettberg, L.A, Stiebritz, M.T, Kang, W, Lee, C.C, Ribbe, M.W, Hu, Y.
登録日2019-02-15
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Mechanistic Insights into CO2Activation by Nitrogenase Iron Protein.
Chemistry, 25, 2019
6NZJ
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BU of 6nzj by Molmil
Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO2 Capture by a Surface-Exposed [Fe4S4] Cluster
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron protein, SULFATE ION
著者Rettberg, L.A, Kang, W, Stiebritz, M.T, Hiller, C.J, Lee, C.C, Liedtke, J, Ribbe, M.W, Hu, Y.
登録日2019-02-13
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
Mbio, 10, 2019
1LM4
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BU of 1lm4 by Molmil
Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A
分子名称: FE (III) ION, GLYCEROL, peptide deformylase PDF1
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-04-30
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1LME
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BU of 1lme by Molmil
Crystal Structure of Peptide Deformylase from Thermotoga maritima
分子名称: peptide deformylase
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
登録日2002-05-01
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1LM6
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BU of 1lm6 by Molmil
Crystal Structure of Peptide Deformylase from Streptococcus pneumoniae
分子名称: FE (III) ION, GLYCEROL, peptide deformylase DEFB
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-04-30
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1N5N
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BU of 1n5n by Molmil
Crystal Structure of Peptide Deformylase from Pseudomonas aeruginosa
分子名称: GLYCEROL, Peptide deformylase, ZINC ION
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-11-06
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
5CXZ
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BU of 5cxz by Molmil
SYK catalytic domain complexed with naphthyridine inhibitor
分子名称: CHLORIDE ION, GLYCEROL, N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine, ...
著者Thoma, G, Veenstra, S, Strang, R, Blanz, J, Vangrevelinghe, E, Berghausen, J, Lee, C.C, Zerwes, H.-G.
登録日2015-07-29
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
6JXG
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BU of 6jxg by Molmil
Crystasl Structure of Beta-glucosidase D2-BGL from Chaetomella Raphigera
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, alpha-D-mannopyranose
著者Wang, A.H.-J, Lee, C.C, Kao, M.R, Ho, T.H.D.
登録日2019-04-23
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chaetomella raphigerabeta-glucosidase D2-BGL has intriguing structural features and a high substrate affinity that renders it an efficient cellulase supplement for lignocellulosic biomass hydrolysis.
Biotechnol Biofuels, 12, 2019
6WYS
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BU of 6wys by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, SULFATE ION
著者Lee, C.C, Spraggon, G.
登録日2020-05-13
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6WZV
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BU of 6wzv by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-14
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
分子名称: GLYCEROL, Lon protease homolog, mitochondrial, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-20
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
分子名称: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
著者Lee, C.C, Spraggon, G.
登録日2020-05-19
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
分子名称: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
著者Lee, C.C, Spraggon, G.
登録日2020-01-09
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
7MCI
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BU of 7mci by Molmil
MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
著者Kang, W, Lee, C, Hu, Y, Ribbe, M.W.
登録日2021-04-02
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
3L9P
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BU of 3l9p by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
分子名称: Anaplastic lymphoma kinase, GLYCEROL
著者Lee, C.
登録日2010-01-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
分子名称: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Lee, C.C, Spraggon, G.
登録日2021-08-17
公開日2022-01-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4Z55
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Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
分子名称: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
著者Lee, C.C, Spraggon, G.
登録日2015-04-02
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016

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