7T46
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![BU of 7t46 by Molmil](/molmil-images/mine/7t46) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T3Z
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![BU of 7t3z by Molmil](/molmil-images/mine/7t3z) | Structure of MERS 3CL protease in complex with inhibitor 9c | Descriptor: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T48
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![BU of 7t48 by Molmil](/molmil-images/mine/7t48) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c | Descriptor: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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4L4T
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![BU of 4l4t by Molmil](/molmil-images/mine/4l4t) | Structure of human MAIT TCR in complex with human MR1-6-FP | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ... | Authors: | Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J. | Deposit date: | 2013-06-09 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of vitamin B metabolites by mucosal-associated invariant T cells. Nat Commun, 4, 2013
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7TQ7
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![BU of 7tq7 by Molmil](/molmil-images/mine/7tq7) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | Descriptor: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ6
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![BU of 7tq6 by Molmil](/molmil-images/mine/7tq6) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ5
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![BU of 7tq5 by Molmil](/molmil-images/mine/7tq5) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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4L4V
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![BU of 4l4v by Molmil](/molmil-images/mine/4l4v) | Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH | Descriptor: | 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J. | Deposit date: | 2013-06-09 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Recognition of vitamin B metabolites by mucosal-associated invariant T cells. Nat Commun, 4, 2013
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7UDW
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![BU of 7udw by Molmil](/molmil-images/mine/7udw) | Designed pentameric proton channel QQLL | Descriptor: | De novo designed pentameric proton channel QQLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7UDV
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![BU of 7udv by Molmil](/molmil-images/mine/7udv) | |
7UDZ
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![BU of 7udz by Molmil](/molmil-images/mine/7udz) | Designed pentameric proton channel LQLL | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7UDY
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![BU of 7udy by Molmil](/molmil-images/mine/7udy) | Designed pentameric channel QLLL | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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7UDX
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![BU of 7udx by Molmil](/molmil-images/mine/7udx) | Designed pentameric proton channel QLQL | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | Authors: | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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3PS5
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![BU of 3ps5 by Molmil](/molmil-images/mine/3ps5) | Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1 | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6 | Authors: | Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W. | Deposit date: | 2010-11-30 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation. J.Cell.Biochem., 112, 2011
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8IRZ
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![BU of 8irz by Molmil](/molmil-images/mine/8irz) | Carbon Sulfoxide lyase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-20 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE. J.Biol.Chem., 300, 2024
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8IS0
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![BU of 8is0 by Molmil](/molmil-images/mine/8is0) | Carbon Sulfoxide lyase - Y106F | Descriptor: | 2-AMINO-ACRYLIC ACID, PYRIDOXAL-5'-PHOSPHATE, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-20 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE. J.Biol.Chem., 300, 2024
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8IRY
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![BU of 8iry by Molmil](/molmil-images/mine/8iry) | Carbon Sulfoxide lyase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase | Authors: | Gong, W.M, Wei, L.L, Liu, L. | Deposit date: | 2023-03-20 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of mycobacterial ergothioneine-biosynthesis C-S lyase EgtE. J.Biol.Chem., 300, 2024
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8HD6
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![BU of 8hd6 by Molmil](/molmil-images/mine/8hd6) | The relaxed pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Descriptor: | MAGNESIUM ION, SPERMIDINE, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | Deposit date: | 2022-11-03 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nat Catal, 2023
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8HD7
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![BU of 8hd7 by Molmil](/molmil-images/mine/8hd7) | The intermediate pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Descriptor: | MAGNESIUM ION, SPERMIDINE, The intermediate pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | Deposit date: | 2022-11-03 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nat Catal, 2023
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7KEO
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![BU of 7keo by Molmil](/molmil-images/mine/7keo) | Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment | Descriptor: | PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ... | Authors: | Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M. | Deposit date: | 2020-10-11 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle. Nat.Chem.Biol., 17, 2021
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7JY5
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![BU of 7jy5 by Molmil](/molmil-images/mine/7jy5) | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2020-08-28 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
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7LN4
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![BU of 7ln4 by Molmil](/molmil-images/mine/7ln4) | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 3) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-02-06 | Release date: | 2021-09-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
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7LMZ
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![BU of 7lmz by Molmil](/molmil-images/mine/7lmz) | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-02-06 | Release date: | 2021-09-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
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7LMY
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![BU of 7lmy by Molmil](/molmil-images/mine/7lmy) | Cryo-EM structure of human p97 in complex with NMS-873 in the presence of ATP, Npl4/Ufd1, and Ub6 | Descriptor: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-02-06 | Release date: | 2021-09-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
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7LN2
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![BU of 7ln2 by Molmil](/molmil-images/mine/7ln2) | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2021-02-06 | Release date: | 2021-09-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97. Nat.Struct.Mol.Biol., 28, 2021
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