PDB: 36667 resultsInfo pagesStatus searchChemie searchBIRD

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7AXT	Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline-5-carboxylic acid and PKI (5-24) Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, isoquinoline-5-carboxylic acid Authors: Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2020-11-10 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
7AXW	Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1-aminoisoquinoline and PKI (5-24) Descriptor: ISOQUINOLIN-1-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha Authors: Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2020-11-10 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
7KPB	Human TNF-alpha TNFR1 complex bound to conformationally selective antibody Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... Authors: Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. Deposit date: 2020-11-10 Release date: 2021-01-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3 Å) Cite: A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF Nat Commun, 12, 2021
7KP5	Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin Descriptor: Beta-lactoglobulin, DODECYL SULFATE Authors: Rodriguez-Hernandez, A, Rodriguez-Romero, A. Deposit date: 2020-11-10 Release date: 2021-01-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Energetic and structural effects of the Tanford transition on ligand recognition of bovine beta-lactoglobulin. Arch.Biochem.Biophys., 699, 2021
7KP7	asymmetric mTNF-alpha hTNFR1 complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ... Authors: Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. Deposit date: 2020-11-10 Release date: 2021-01-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
7KP8	asymmetric mTNF-alpha hTNFR1 complex Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A Authors: Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. Deposit date: 2020-11-10 Release date: 2021-01-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
7KOR	Structure of cardiac native thin filament at pCa=5.8 having upper troponin in Ca2+ bound state and lower troponin in Ca2+ free state Descriptor: Actin, alpha skeletal muscle, Tropomyosin alpha-1 chain, ... Authors: Galkin, V.E, Risi, C.M. Deposit date: 2020-11-09 Release date: 2021-03-24 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (7.8 Å) Cite: The structure of the native cardiac thin filament at systolic Ca 2+ levels. Proc.Natl.Acad.Sci.USA, 118, 2021
7AWT	E. coli NADH quinone oxidoreductase hydrophilic arm Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... Authors: Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T. Deposit date: 2020-11-09 Release date: 2021-09-15 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (2.73 Å) Cite: Structure of the peripheral arm of a minimalistic respiratory complex I. Structure, 30, 2022
7KON	Structure of upper Tn Ca2+ free (rotated) and lower Tn Ca2+ bound cardiac native thin filament at pCa=5.8 Descriptor: Actin, alpha skeletal muscle, Tropomyosin alpha-1 chain, ... Authors: Galkin, V.E, Risi, C.M. Deposit date: 2020-11-09 Release date: 2021-03-24 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (8.1 Å) Cite: The structure of the native cardiac thin filament at systolic Ca 2+ levels. Proc.Natl.Acad.Sci.USA, 118, 2021
7KOG	Lethocerus Myosin II complete coiled-coil domain resolved in its native environment Descriptor: Myosin heavy chain isoform Mhc_X1 Authors: Rahmani, H, Hu, Z, Daneshparvar, N, Taylor, D, Taylor, K.A. Deposit date: 2020-11-09 Release date: 2021-03-24 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (4.25 Å) Cite: The myosin II coiled-coil domain atomic structure in its native environment. Proc.Natl.Acad.Sci.USA, 118, 2021
7DFL	Cryo-EM structure of histamine H1 receptor Gq complex Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... Authors: He, Y, Xia, R, Wang, N, Xu, Z. Deposit date: 2020-11-09 Release date: 2021-03-31 Last modified: 2021-04-21 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Cryo-EM structure of the human histamine H 1 receptor/G q complex. Nat Commun, 12, 2021
7DFP	Human dopamine D2 receptor in complex with spiperone Descriptor: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ... Authors: Im, D, Shimamura, T, Iwata, S. Deposit date: 2020-11-09 Release date: 2020-12-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone. Nat Commun, 11, 2020
7KOT	Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin Descriptor: Beta-lactoglobulin, DODECYL SULFATE Authors: Rodriguez-Hernandez, A, Rodriguez-Romero, A. Deposit date: 2020-11-09 Release date: 2021-01-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Energetic and structural effects of the Tanford transition on ligand recognition of bovine beta-lactoglobulin. Arch.Biochem.Biophys., 699, 2021
5S4O	Tubulin-Z48847594-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4Q	Tubulin-Z422344882-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4L	Tubulin-Z1891773393-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4M	Tubulin-Z2142244288-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4N	Tubulin-Z285782452-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4W	Tubulin-Z1416571195-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S61	Tubulin-Z57472297-complex Descriptor: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4Z	Tubulin-Z28290384-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S5K	Tubulin-Z2472938267-complex Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4Y	Tubulin-Z2856434857-complex Descriptor: 3-[(thiomorpholin-4-yl)methyl]phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S62	Tubulin-Z100642432-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-bromo-4-fluoro-N,N-dimethylbenzamide, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
5S4R	Tubulin-Z117233350-complex Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, ... Authors: Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. Deposit date: 2020-11-08 Release date: 2021-06-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021

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