PDB: 36667 resultsInfo pagesStatus searchChemie searchBIRD

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7MA7	HIV-1 Protease (I84V) in Complex with UMass7 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.919 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass7 To Be Published
7MA9	HIV-1 Protease (I84V) in Complex with UMass9 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass9 To Be Published
7MAQ	Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV To Be Published
7MA8	HIV-1 Protease (I84V) in Complex with UMass8 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.901 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass8 To Be Published
7MA3	HIV-1 Protease (I84V) in Complex with UMass2 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.969 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass2 To Be Published
7MA5	HIV-1 Protease (I84V) in Complex with UMass4 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.977 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass4 To Be Published
7MA4	HIV-1 Protease (I84V) in Complex with UMass3 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.989 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass3 To Be Published
7O2V	AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 Descriptor: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A Authors: Garau, G. Deposit date: 2021-03-31 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile. Eur.J.Med.Chem., 226, 2021
7O2O	Lysozyme structure from microfluidic-based in situ data collection Descriptor: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION Authors: Gardais, A, Chavas, L. Deposit date: 2021-03-31 Release date: 2022-04-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.833 Å) Cite: Manufacturing of Ultra-Thin X-ray-Compatible COC Microfluidic Devices for Optimal In Situ Macromolecular Crystallography Experiments. Micromachines (Basel), 13, 2022
7M8V	Human CYP11B2 in complex with LCI699 Descriptor: 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... Authors: Scott, E.E, Brixius-Anderko, S. Deposit date: 2021-03-30 Release date: 2021-06-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design. Hypertension, 78, 2021
7M8W	XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 Descriptor: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ... Authors: Shiriaeva, A, Han, G.W, Cherezov, V. Deposit date: 2021-03-30 Release date: 2021-08-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2. Proc.Natl.Acad.Sci.USA, 118, 2021
7EIB	Cryo-EM structure of the type 1 bradykinin receptor in complex with the des-Arg10-kallidin and an Gq protein Descriptor: B1 bradykinin receptor, G subunit q (Gi1-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Yin, Y, Jiang, Y. Deposit date: 2021-03-30 Release date: 2021-10-13 Method: ELECTRON MICROSCOPY (3 Å) Cite: Molecular basis for kinin selectivity and activation of the human bradykinin receptors. Nat.Struct.Mol.Biol., 28, 2021
7EHX	X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE Authors: Lin, Y.W. Deposit date: 2021-03-30 Release date: 2022-04-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond To Be Published
7O24	Structure of the foamy viral protease-reverse transcriptase in complex with dsDNA. Descriptor: DNA (5'-D(*AP*AP*CP*AP*GP*AP*GP*TP*GP*CP*GP*AP*CP*AP*CP*CP*TP*GP*AP*TP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), Pr125Pol Authors: Nowotny, M, Czarnocki-Cieciura, M. Deposit date: 2021-03-30 Release date: 2021-06-30 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (4.8 Å) Cite: Structures of Substrate Complexes of Foamy Viral Protease-Reverse Transcriptase. J.Virol., 95, 2021
7O1U	X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Brandstetter, H. Deposit date: 2021-03-30 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021
7O22	X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (mi359) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Brandstetter, H. Deposit date: 2021-03-30 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021
7O1Y	X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Brandstetter, H. Deposit date: 2021-03-30 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021
7O1W	X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1 M NaCl Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Brandstetter, H. Deposit date: 2021-03-30 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021
7O20	X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Brandstetter, H. Deposit date: 2021-03-30 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol., 16, 2021
7M8I	Human CYP11B2 and human adrenodoxin in complex with fadrozole Descriptor: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ... Authors: Scott, E.E, Brixius-Anderko, S. Deposit date: 2021-03-29 Release date: 2021-05-26 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.94 Å) Cite: Structural and functional insights into aldosterone synthase interaction with its redox partner protein adrenodoxin. J.Biol.Chem., 296, 2021
7EHL	Cryo-EM structure of human ABCB8 transporter in nucleotide binding state Descriptor: CHOLESTEROL, MAGNESIUM ION, Mitochondrial potassium channel ATP-binding subunit, ... Authors: Li, S.J, Yang, X, Shen, Y.Q. Deposit date: 2021-03-29 Release date: 2021-05-05 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY Cite: Cryo-EM structure of human ABCB8 transporter in nucleotide binding state. Biochem.Biophys.Res.Commun., 557, 2021
7O0Y	ABC transporter NosDFY, nucleotide-free in GDN Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... Authors: Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. Deposit date: 2021-03-28 Release date: 2022-04-13 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O15	ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2 Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... Authors: Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. Deposit date: 2021-03-28 Release date: 2022-04-13 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY Cite: Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O16	ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3 Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... Authors: Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. Deposit date: 2021-03-28 Release date: 2022-04-13 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY Cite: Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
7O14	ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1 Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... Authors: Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. Deposit date: 2021-03-28 Release date: 2022-04-13 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY Cite: Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022

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