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PDB: 186 件
3BZY
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Crystal structure of the mutated Y316D EscU C-terminal domain
分子名称: EscU, SULFATE ION
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3DA6
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Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
分子名称: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
著者Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S.
登録日2008-05-28
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
6W2A
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1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
分子名称: (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-03-05
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7LKS
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1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f
分子名称: (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKX
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1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e
分子名称: (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKT
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1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k
分子名称: (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKR
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1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a
分子名称: (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKV
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1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c
分子名称: (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 1,2-ETHANEDIOL, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKW
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1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d (deuterated analog of inhibitor 3c)
分子名称: (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKU
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1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3b (deuterated analog of inhibitor 2a)
分子名称: (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
1SBI
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SUBTILISIN BPN' 8397 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S)
分子名称: CALCIUM ION, SUBTILISIN 8397
著者Kidd, R.D, Yennawar, H.P, Farber, G.K.
登録日1995-09-01
公開日1995-12-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability.
J.Am.Chem.Soc., 118, 1996
1IB6
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CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE
分子名称: MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J.
登録日2001-03-27
公開日2001-09-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analyses of a Malate Dehydrogenase with a Variable Active Site
J.Biol.Chem., 276, 2001
1IE3
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CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE
分子名称: MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID
著者Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J.
登録日2001-04-05
公開日2001-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analyses of a Malate Dehydrogenase with a Variable Active Site
J.Biol.Chem., 276, 2001
8DJ8
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Crystal Structure of Calgreen 1 protein
分子名称: Calgreen One
著者Hung, L.-W, Nguyen, H.B, Waldo, G.
登録日2022-06-30
公開日2023-07-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of Engineered Variants of GFP-type Green Fluorescent protein from Corynactis californica (tentative)
To Be Published
3MVD
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Crystal structure of the chromatin factor RCC1 in complex with the nucleosome core particle
分子名称: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
著者Makde, R.D, England, J.R, Yennawar, H.P, Tan, S.
登録日2010-05-04
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of RCC1 chromatin factor bound to the nucleosome core particle.
Nature, 467, 2010
4GUQ
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Structure of mutS139F p73 DNA binding domain complexed with 20BP DNA response element
分子名称: DNA (5'-D(P*GP*AP*AP*CP*AP*TP*GP*TP*TP*C)-3'), Tumor protein p73, ZINC ION
著者Ethayathulla, A.S, Nguyen, H.T, Viadiu, H.
登録日2012-08-29
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Transactivation specificity is conserved among p53 family proteins and depends on a response element sequence code.
Nucleic Acids Res., 41, 2013
1NUO
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Two RTH Mutants with Impaired Hormone Binding
分子名称: Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
著者Huber, B.R, Sandler, B, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Apriletti, J.W, Baxter, J.D, Fletterick, R.J.
登録日2003-01-31
公開日2003-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Two resistance to thyroid hormone mutants with impaired hormone binding
Mol.Endocrinol., 17, 2003
7K0G
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1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-09-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K0E
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1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-09-04
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
8U21
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A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP E6
分子名称: Green Fluorescent Protein Variant E6, ccGFP E6
著者Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Engineering highly stable variants of Corynactis californica green fluorescent proteins.
Protein Sci., 33, 2024
8U24
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A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 9
分子名称: Green Fluorescent Protein Variant #9, ccGFP 9
著者Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering highly stable variants of Corynactis californica green fluorescent proteins.
Protein Sci., 33, 2024
8VOI
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HADDOCK models of active human alphaM I-domain bound to the the C-terminal domain of the cytokine pleiotrophin
分子名称: Integrin alpha-M, MAGNESIUM ION, Pleiotrophin
著者Wang, X, Nguyen, H.
登録日2024-01-15
公開日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin
To Be Published
8VOH
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HADDOCK models of human alphaM I-domain bound to the the N-terminal domain of the cytokine pleiotrophin
分子名称: Integrin alpha-M, Pleiotrophin
著者Wang, X, Nguyen, H.
登録日2024-01-15
公開日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin
To Be Published
7L7G
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Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens (updated model of PDB ID: 6CAJ)
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Tsai, J.C, Miller-Vedam, L.E, Anand, A, Jaishankar, P, Nguyen, H.C, Wang, L, Renslo, A.R, Frost, A, Walter, P.
登録日2020-12-28
公開日2021-03-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献eIF2B conformation and assembly state regulates the integrated stress response.
Elife, 10, 2021
8U20
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A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 5
分子名称: Green Fluorescent Protein Variant #5, ccGFP 5
著者Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B.
登録日2023-09-05
公開日2024-01-31
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering highly stable variants of Corynactis californica green fluorescent proteins.
Protein Sci., 33, 2024

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