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4HWI
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Crystal structure of ATBAG1 in complex with HSP70
分子名称: BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
4HWD
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Crystal structure of ATBAG2
分子名称: BAG family molecular chaperone regulator 2
著者Shen, Y, Fang, S.
登録日2012-11-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 69, 2013
7T7A
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BU of 7t7a by Molmil
Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein
分子名称: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION
著者Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J.
登録日2021-12-14
公開日2022-05-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
7E5X
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-02-21
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
2OC7
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Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
分子名称: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
著者Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
登録日2022-04-15
公開日2022-05-04
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
7DVW
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SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVY
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SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate
分子名称: 3C-like proteinase, nsp9/10 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVX
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SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate
分子名称: 3C-like proteinase, nsp6/7 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVP
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SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate
分子名称: 3C-like proteinase, nsp4/5 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-14
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW0
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SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate
分子名称: 3C-like proteinase, nsp14/15 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW6
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BU of 7dw6 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate
分子名称: 3C-like proteinase, nsp15/16 peptidyl substrate
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
8K4F
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BU of 8k4f by Molmil
DHODH in complex with compound A0
分子名称: 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ...
著者Jian, L, Sun, Q.
登録日2023-07-18
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
6UXU
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BU of 6uxu by Molmil
X-ray Crystal Structure of Chlorothalonil Dehalogenase: Analyzing the Catalytic Mechanism of Hydrolytic Dehalogenation
分子名称: Chlorothalonil hydrolytic dehalogenase, ZINC ION
著者Catlin, D.S, Liu, D.
登録日2019-11-08
公開日2020-05-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil.
J.Biol.Chem., 295, 2020
5DO4
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Thrombin-RNA aptamer complex
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pallan, P.S, Egli, M.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Evoking picomolar binding in RNA by a single phosphorodithioate linkage.
Nucleic Acids Res., 44, 2016
3SJ0
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PpcA mutant M58S
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CYTOCHROME C7, HEME C, ...
著者Pokkuluri, P.R, Schiffer, M.
登録日2011-06-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pitfalls in the interpretation of structural changes in mutant proteins from crystal structures.
J.Struct.Funct.Genom., 13, 2012
3SJ4
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PpcA mutant M58K
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CYTOCHROME C7, HEME C, ...
著者Pokkuluri, P.R, Schiffer, M.
登録日2011-06-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pitfalls in the interpretation of structural changes in mutant proteins from crystal structures.
J.Struct.Funct.Genom., 13, 2012
3SJ1
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PpcA M58D mutant
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CYTOCHROME C7, HEME C, ...
著者Pokkuluri, P.R, Schiffer, M.
登録日2011-06-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pitfalls in the interpretation of structural changes in mutant proteins from crystal structures.
J.Struct.Funct.Genom., 13, 2012
5DK3
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BU of 5dk3 by Molmil
Crystal Structure of Pembrolizumab, a full length IgG4 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, ...
著者Scapin, G, Prosise, W, Reichert, P.
登録日2015-09-02
公開日2015-11-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab.
Nat.Struct.Mol.Biol., 22, 2015
7FIV
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Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
分子名称: CidA_I gamma/2 protein, CidB_I b/2 protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
分子名称: bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIW
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Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
分子名称: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
分子名称: ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
3SEL
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BU of 3sel by Molmil
PpcA M58N mutant
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CYTOCHROME C7, HEME C, ...
著者Pokkuluri, P.R, Schiffer, M.
登録日2011-06-10
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pitfalls in the interpretation of structural changes in mutant proteins from crystal structures.
J.Struct.Funct.Genom., 13, 2012
7D7L
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The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
分子名称: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
著者Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
登録日2020-10-04
公開日2021-04-21
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021

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