3BZY
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![BU of 3bzy by Molmil](/molmil-images/mine/3bzy) | Crystal structure of the mutated Y316D EscU C-terminal domain | Descriptor: | EscU, SULFATE ION | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | Deposit date: | 2008-01-18 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS. Nature, 453, 2008
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3DA6
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![BU of 3da6 by Molmil](/molmil-images/mine/3da6) | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2008-05-28 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
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6W2A
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![BU of 6w2a by Molmil](/molmil-images/mine/6w2a) | 1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j | Descriptor: | (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 | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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7LKS
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![BU of 7lks by Molmil](/molmil-images/mine/7lks) | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKX
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![BU of 7lkx by Molmil](/molmil-images/mine/7lkx) | 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKT
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![BU of 7lkt by Molmil](/molmil-images/mine/7lkt) | 1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKR
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![BU of 7lkr by Molmil](/molmil-images/mine/7lkr) | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKV
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![BU of 7lkv by Molmil](/molmil-images/mine/7lkv) | 1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKW
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![BU of 7lkw by Molmil](/molmil-images/mine/7lkw) | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d (deuterated analog of inhibitor 3c) | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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7LKU
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![BU of 7lku by Molmil](/molmil-images/mine/7lku) | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3b (deuterated analog of inhibitor 2a) | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2021-02-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease. J.Med.Chem., 64, 2021
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1SBI
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![BU of 1sbi by Molmil](/molmil-images/mine/1sbi) | SUBTILISIN BPN' 8397 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S) | Descriptor: | CALCIUM ION, SUBTILISIN 8397 | Authors: | Kidd, R.D, Yennawar, H.P, Farber, G.K. | Deposit date: | 1995-09-01 | Release date: | 1995-12-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability. J.Am.Chem.Soc., 118, 1996
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1IB6
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![BU of 1ib6 by Molmil](/molmil-images/mine/1ib6) | CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE | Descriptor: | MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J. | Deposit date: | 2001-03-27 | Release date: | 2001-09-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analyses of a Malate Dehydrogenase with a Variable Active Site J.Biol.Chem., 276, 2001
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1IE3
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![BU of 1ie3 by Molmil](/molmil-images/mine/1ie3) | CRYSTAL STRUCTURE OF R153C E. COLI MALATE DEHYDROGENASE | Descriptor: | MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID | Authors: | Bell, J.K, Yennawar, H.P, Wright, S.K, Thompson, J.R, Viola, R.E, Banaszak, L.J. | Deposit date: | 2001-04-05 | Release date: | 2001-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analyses of a Malate Dehydrogenase with a Variable Active Site J.Biol.Chem., 276, 2001
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8DJ8
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![BU of 8dj8 by Molmil](/molmil-images/mine/8dj8) | Crystal Structure of Calgreen 1 protein | Descriptor: | Calgreen One | Authors: | Hung, L.-W, Nguyen, H.B, Waldo, G. | Deposit date: | 2022-06-30 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Function of Engineered Variants of GFP-type Green Fluorescent protein from Corynactis californica (tentative) To Be Published
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3MVD
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![BU of 3mvd by Molmil](/molmil-images/mine/3mvd) | Crystal structure of the chromatin factor RCC1 in complex with the nucleosome core particle | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Makde, R.D, England, J.R, Yennawar, H.P, Tan, S. | Deposit date: | 2010-05-04 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of RCC1 chromatin factor bound to the nucleosome core particle. Nature, 467, 2010
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4GUQ
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![BU of 4guq by Molmil](/molmil-images/mine/4guq) | |
1NUO
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![BU of 1nuo by Molmil](/molmil-images/mine/1nuo) | Two RTH Mutants with Impaired Hormone Binding | Descriptor: | Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | Authors: | Huber, B.R, Sandler, B, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Apriletti, J.W, Baxter, J.D, Fletterick, R.J. | Deposit date: | 2003-01-31 | Release date: | 2003-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Two resistance to thyroid hormone mutants with impaired hormone binding Mol.Endocrinol., 17, 2003
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7K0G
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![BU of 7k0g by Molmil](/molmil-images/mine/7k0g) | 1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376 | Descriptor: | (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 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0E
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![BU of 7k0e by Molmil](/molmil-images/mine/7k0e) | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | Descriptor: | (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 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-09-04 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection. Proc.Natl.Acad.Sci.USA, 118, 2021
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8U21
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![BU of 8u21 by Molmil](/molmil-images/mine/8u21) | A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP E6 | Descriptor: | Green Fluorescent Protein Variant E6, ccGFP E6 | Authors: | Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Engineering highly stable variants of Corynactis californica green fluorescent proteins. Protein Sci., 33, 2024
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8U24
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![BU of 8u24 by Molmil](/molmil-images/mine/8u24) | A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 9 | Descriptor: | Green Fluorescent Protein Variant #9, ccGFP 9 | Authors: | Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering highly stable variants of Corynactis californica green fluorescent proteins. Protein Sci., 33, 2024
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8VOI
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![BU of 8voi by Molmil](/molmil-images/mine/8voi) | |
8VOH
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7L7G
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![BU of 7l7g by Molmil](/molmil-images/mine/7l7g) | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens (updated model of PDB ID: 6CAJ) | Descriptor: | 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, ... | Authors: | Tsai, J.C, Miller-Vedam, L.E, Anand, A, Jaishankar, P, Nguyen, H.C, Wang, L, Renslo, A.R, Frost, A, Walter, P. | Deposit date: | 2020-12-28 | Release date: | 2021-03-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | eIF2B conformation and assembly state regulates the integrated stress response. Elife, 10, 2021
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8U20
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![BU of 8u20 by Molmil](/molmil-images/mine/8u20) | A Highly Stable Variant of Corynactis Californica Green Fluorescent Protein, ccGFP 5 | Descriptor: | Green Fluorescent Protein Variant #5, ccGFP 5 | Authors: | Hung, L.-W, Terwilliger, T.C, Waldo, G, Nguyen, H.B. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineering highly stable variants of Corynactis californica green fluorescent proteins. Protein Sci., 33, 2024
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