PDB: 226262 resultsInfo pagesStatus searchChemie searchBIRD

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8HQG	Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53 Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide Authors: Wang, J, Zhang, J, Li, J. Deposit date: 2022-12-13 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53 To Be Published
4WIA	Crystal structure of flagellar accessory protein FlaH from Methanocaldococcus jannaschii Descriptor: GLYCEROL, Putative flagella-related protein H, SULFATE ION Authors: Meshcheryakov, V.A, Wolf, M. Deposit date: 2014-09-25 Release date: 2015-10-07 Last modified: 2020-02-05 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the flagellar accessory protein FlaH of Methanocaldococcus jannaschii suggests a regulatory role in archaeal flagellum assembly. Protein Sci., 25, 2016
4WIM	Crystal Structure of the GMP Synthetase from Plasmodium falciparum Descriptor: GMP synthetase Authors: Ballut, L, Violot, S, Haser, R, Aghajari, N. Deposit date: 2014-09-26 Release date: 2015-12-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation. Nat Commun, 6, 2015
8HRZ	Crystal structure of the p97-N/D1 hexamer in complex with six p47-UBX domains Descriptor: ADENOSINE-5'-DIPHOSPHATE, NSFL1 cofactor p47, Transitional endoplasmic reticulum ATPase Authors: Nguyen, T.Q, Kang, W. Deposit date: 2022-12-16 Release date: 2023-12-20 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of the p97-N/D1 hexmaer in complex with six p47-UBX domains J. Korean Chem. Soc., 68, 2024
4WJ7	CCM2 PTB domain in complex with KRIT1 NPxY/F3 Descriptor: KRIT1 NPxY/F3, Malcavernin Authors: Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J. Deposit date: 2014-09-29 Release date: 2014-12-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.753 Å) Cite: Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations. J.Biol.Chem., 290, 2015
8HQ7	Cryo-EM structure of SARS-CoV-2 Omicron Prototype RBD in complex with fab L4.65 and L5.34 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, fab L4.65, ... Authors: Gao, G.F, Liu, S. Deposit date: 2022-12-13 Release date: 2023-12-20 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine. Cell Discov, 9, 2023
4WJK	Metal Ion and Ligand Binding of Integrin Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Xia, W, Springer, T.A. Deposit date: 2014-09-30 Release date: 2014-12-03 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
8HQI	Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53 Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide Authors: Li, W.W, Zhang, J, Li, J. Deposit date: 2022-12-13 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53 To Be Published
4WH3	N-acetylhexosamine 1-kinase in complex with ATP Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... Authors: Sato, M, Arakawa, T, Nam, Y.W, Nishimoto, M, Kitaoka, M, Fushinobu, S. Deposit date: 2014-09-19 Release date: 2015-02-18 Last modified: 2020-02-05 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Open-close structural change upon ligand binding and two magnesium ions required for the catalysis of N-acetylhexosamine 1-kinase Biochim.Biophys.Acta, 1854, 2015
8HNA	Crystal structure of N-terminal fragment (20-221aa) of human SCARF1 Descriptor: Scavenger receptor class F member 1 Authors: Wang, Y, He, Y, Li, G. Deposit date: 2022-12-07 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of N-terminal of SCARF1 at 2.6 Angstroms resolution To Be Published
4WH8	Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. Descriptor: Genome polyprotein, SULFATE ION, ZINC ION, ... Authors: Soumana, D.I, Ali, A, Schiffer, C.A. Deposit date: 2014-09-20 Release date: 2014-10-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
8HQH	Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53 Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide Authors: Zou, X.F, Zhang, J, Li, J. Deposit date: 2022-12-13 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53 To Be Published
8HRM	Cryo-EM structure of streptavidin Descriptor: Streptavidin Authors: Xu, J, Liu, N, Wang, H.W. Deposit date: 2022-12-15 Release date: 2023-12-20 Method: ELECTRON MICROSCOPY (2.56 Å) Cite: Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
4WHH	A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 Descriptor: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, SULFATE ION, Serine/threonine-protein kinase PLK1 Authors: Bang, J.K. Deposit date: 2014-09-22 Release date: 2014-12-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1. J.Med.Chem., 58, 2015
4WHN	Structure of toxin-activating acyltransferase (TAAT) Descriptor: ApxC, CITRIC ACID Authors: Crow, A, Greene, N.P, Hughes, C, Koronakis, V. Deposit date: 2014-09-23 Release date: 2015-06-03 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure of a bacterial toxin-activating acyltransferase. Proc.Natl.Acad.Sci.USA, 112, 2015
8HQW	The complex structure of COPI cargo sorting module with MHV Spike Hxx sorting motif Descriptor: Coatomer subunit beta',MHV Spike Hxx sorting motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.405 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8HR4	[D-Cys5,D-Lys16]-STp(5-17) Descriptor: DCY-CYS-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CYS-ALA-DLY-CYS Authors: Shimamoto, S, Hidaka, Y, Yoshino, S, Goto, M. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: SOLUTION NMR Cite: The molecular basis of heat-stable enterotoxin for vaccine development and cancer cell detection To Be Published
4WK1	Crystal structure of Staphylococcus aureus PstA in complex with c-di-AMP Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, PstA Authors: Mueller, M, Hopfner, K.-P, Witte, G. Deposit date: 2014-10-01 Release date: 2014-11-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.98 Å) Cite: c-di-AMP recognition by Staphylococcus aureus PstA. Febs Lett., 589, 2015
4WK3	Structure of Staphyloccus aureus PstA Descriptor: CHLORIDE ION, PstA Authors: Mueller, M, Hopfner, K.-P, Witte, G. Deposit date: 2014-10-01 Release date: 2014-11-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: c-di-AMP recognition by Staphylococcus aureus PstA. Febs Lett., 589, 2015
8HRF	Catalytic domain of Vibrio parahaemolyticus chitinase 1 Descriptor: ACETATE ION, CALCIUM ION, Chitinase Authors: Nakamura, A. Deposit date: 2022-12-15 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Catalytic domain of Vibrio parahaemolyticus chitinase 1 To Be Published
4WK7	Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide) Descriptor: 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ... Authors: Durbin, J.D, Stout, S.L. Deposit date: 2014-10-01 Release date: 2014-12-10 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J.Med.Chem., 57, 2014
8HPB	NMR Structure of OsCIE1-Ubox S237D mutant Descriptor: U-box domain-containing protein 12 Authors: Zhang, Y, Yu, C.Z, Lan, W.X. Deposit date: 2022-12-12 Release date: 2023-12-20 Last modified: 2024-06-12 Method: SOLUTION NMR Cite: Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice. Nature, 629, 2024
4WKC	Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL Authors: Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. Deposit date: 2014-10-02 Release date: 2015-08-19 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
8HRK	SARS-CoV-2 Delta S-RBD-ACE2 complex Descriptor: Processed angiotensin-converting enzyme 2, Spike protein S1 Authors: Xu, J, Meng, F, Liu, N, Wang, H.W. Deposit date: 2022-12-15 Release date: 2023-12-20 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
8HN0	Crystal structure of N-terminal fragment (20-132aa) of human SCARF1 Descriptor: Scavenger receptor class F member 1 Authors: Wang, Y, He, Y. Deposit date: 2022-12-06 Release date: 2023-12-20 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the f1 of SCARF1 To Be Published

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