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
 | | 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
 | | 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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7LN0
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 2) | | 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 (2.98 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN6
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 2, Open State) | | 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 (3.58 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN5
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 1, Close State) | | 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 (3.09 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN1
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 3) | | 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 (3.4 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN3
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 2) | | 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 (3.45 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7VB9
 | | Rba sphaeroides PufY-KO RC-LH1 dimer type-2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-08-30 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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7VA9
 | | Rba sphaeroides PufY-KO RC-LH1 dimer type-1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-08-27 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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3F3H
 | | Crystal structure and anti-tumor activity of LZ-8 from the fungus Ganoderma lucidium | | Descriptor: | Immunomodulatory protein Ling Zhi-8 | | Authors: | Zhou, C.Z, Huang, L, He, Y.X, Bao, R, Sun, F, Liang, C, Liu, L. | | Deposit date: | 2008-10-30 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of LZ-8 from the medicinal fungus Ganoderma lucidium
Proteins, 75, 2009
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7JH6
 | | De novo designed two-domain di-Zn(II) and porphyrin-binding protein | | Descriptor: | NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ... | | Authors: | Schmidt, N, Liu, L, DeGrado, W.F. | | Deposit date: | 2020-07-20 | | Release date: | 2020-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ABO
 | | human XRCC4 and IFFO1 complex | | Descriptor: | DNA repair protein XRCC4, GLYCEROL, Intermediate filament family orphan 1, ... | | Authors: | Li, J, Liu, L, Liang, H, Liu, Y, Xu, D. | | Deposit date: | 2018-07-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The nucleoskeleton protein IFFO1 immobilizes broken DNA and suppresses chromosome translocation during tumorigenesis.
Nat.Cell Biol., 21, 2019
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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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7VNM
 | | Rba sphaeroides PufY-KO RC-LH1 monomer | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-10-11 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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7VOY
 | | Rba sphaeroides PufX-KO RC-LH1 | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-10-15 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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7VNY
 | | Rba sphaeroides WT RC-LH1 monomer | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ... | | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | | Deposit date: | 2021-10-12 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex.
Nat Commun, 13, 2022
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2B7D
 | | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | | Deposit date: | 2005-10-04 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
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2VL7
 | | Structure of S. tokodaii Xpd4 | | Descriptor: | PHOSPHATE ION, XPD | | Authors: | Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G. | | Deposit date: | 2008-01-08 | | Release date: | 2008-05-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the DNA Repair Helicase Xpd.
Cell(Cambridge,Mass.), 133, 2008
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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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6UAD
 | | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION | | Authors: | Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
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8E69
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorodimethyl oxybenzene inhibitor | | Descriptor: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8E64
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a benzimidazole dimethyl sulfane inhibitor | | Descriptor: | (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8E65
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor | | Descriptor: | (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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6W90
 | | De novo designed NTF2 fold protein NT-9 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 | | Authors: | Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. | | Deposit date: | 2020-03-21 | | Release date: | 2020-08-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
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