5KH2
 
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6OKF
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OLT
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-17 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6WK2
 | | SETD3 mutant (N255V) in Complex with an Actin Peptide with His73 Replaced with Methionine | | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 2, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-04-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
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6OKC
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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6OKG
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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8VMB
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8VM8
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8VM9
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8VMA
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8SGE
 | | KLHDC2 Kelch Domain with ligand KDRLKZ-1 | | Descriptor: | GLYCEROL, Kelch domain-containing protein 2, [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid | | Authors: | Digianantonio, K.M, Bekes, M, Langley, D.R, Zimmerman, K. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.509 Å) | | Cite: | Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
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8SGF
 | | KLHDC2 Kelch Domain with KLHDC2 c-terminal peptide bound | | Descriptor: | GLYCEROL, HIS-SER-VAL-ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2 | | Authors: | Digianantonio, K.M, Bekes, M, Langley, D.R, Zimmerman, K. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.418 Å) | | Cite: | Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
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8SH2
 | | KLHDC2 in complex with EloB and EloC | | Descriptor: | Elongin-B, Elongin-C, Kelch domain-containing protein 2 | | Authors: | Digianantonio, K.M, Bekes, M. | | Deposit date: | 2023-04-13 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
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9FU2
 | | Smooth Muscle Myosin II in complex with MT-228 | | Descriptor: | (3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kikuti, C.M, Houdusse, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (2.581 Å) | | Cite: | Development of clinically viable
nonmuscle myosin II small molecule inhibitors
To Be Published
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8D8R
 | | SARS-CoV-2 Spike RBD in complex with DMAb 2196 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ... | | Authors: | Du, J, Cui, J, Pallesen, J. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-19 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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8D8Q
 | | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | | Authors: | Du, J, Cui, J, Pallesen, J. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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7JYD
 | | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | | Descriptor: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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7JYE
 | | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | | Descriptor: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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5EGC
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7TUJ
 | | NMR solution structure of the phosphorylated MUS81-binding region from human SLX4 | | Descriptor: | Structure-specific endonuclease subunit SLX4 | | Authors: | Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-10-19 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
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8G47
 | | KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold | | Descriptor: | AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G4E
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8G3K
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8G42
 | | KRAS G12C complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-08 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G4H
 | | KRAS G13C complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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