9B70
 
 | | Cryo-EM structure of MraY in complex with analogue 2 | | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
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8Y1H
 | | The 2up formation of the HKU1-B S protein in the apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
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9EZJ
 | | Apo human TDO in complex with a bound inhibitor (Cpd-4) | | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2024-04-12 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
To Be Published
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4K9V
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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9B34
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8Y8A
 | | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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8ZFL
 | | Caenorhabditis elegans ACR-23 in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562 | | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | | Deposit date: | 2024-05-08 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine
To Be Published
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9B03
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8Y1B
 | | 1up-2 conformation of HKU1-B S protein after incubation of the receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
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9BU1
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8Y1C
 | | 2up-1 conformation of HKU1-B S protein after incubation of the receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
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8Y1F
 | | The closed conformation of the HKU1-B S protein in the apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
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9B71
 | | Cryo-EM structure of MraY in complex with analogue 3 | | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid, MraYAA Nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
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9FH9
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6WF1
 | | Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H10 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | | Deposit date: | 2020-04-03 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.19 Å) | | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Nat Commun, 12, 2021
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8Y7Y
 | | Local structure of HCoV-HKU1A spike in complex with TMPRSS2 and glycan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, H.F, Zhang, X, Lu, Y, Liu, X, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-05 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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3LTJ
 | | Structure of a new family of artificial alpha helicoidal repeat proteins (alpha-Rep) based on thermostable HEAT-like repeats | | Descriptor: | AlphaRep-4 | | Authors: | Urvoas, A, Guellouz, A, Graille, M, van Tilbeurgh, H, Desmadril, M, Minard, P. | | Deposit date: | 2010-02-16 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins ( alpha Rep) based on thermostable HEAT-like repeats
J.Mol.Biol., 404, 2010
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8Y19
 | | Closed conformation of HKU1-B S protein after incubation of the receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Xia, L.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis for the recognition of HCoV-HKU1 by human TMPRSS2.
Cell Res., 34, 2024
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8Y8J
 | | Local structure of HCoV-HKU1C spike in complex with glycan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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4TUZ
 | | Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ... | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2014-06-25 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol. Sin., 36, 2015
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8Y8F
 | | Structure of HCoV-HKU1C spike in the glycan-activated-closed conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
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3LU0
 | | Molecular model of Escherichia coli core RNA polymerase | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Darst, S.A. | | Deposit date: | 2010-02-16 | | Release date: | 2010-09-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.2 Å) | | Cite: | Complete structural model of Escherichia coli RNA polymerase from a hybrid approach.
Plos Biol., 8, 2010
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8ZFK
 | | Caenorhabditis elegans ACR-23 in betaine and monepantel bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562, ... | | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | | Deposit date: | 2024-05-08 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine
To Be Published
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3LVR
 | | The crystal structure of ASAP3 in complex with Arf6 in transition state soaked with Calcium | | Descriptor: | ALUMINUM FLUORIDE, Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3, ... | | Authors: | Ismail, S.A, Vetter, I.R, Sot, B, Wittinghofer, A. | | Deposit date: | 2010-02-22 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | The structure of an Arf-ArfGAP complex reveals a Ca2+ regulatory mechanism
Cell(Cambridge,Mass.), 141, 2010
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4TWT
 | | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | | Deposit date: | 2014-07-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide.
Protein Eng.Des.Sel., 28, 2015
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