PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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7G8O	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1267800292 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-1H-indole-7-carboxamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.579 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8M	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-(1H-indol-7-yl)acetamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.029 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8W	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393 Descriptor: 4-(5-methyl-1H-pyrazol-4-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.939 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G9C	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-[2-(methanesulfonyl)phenyl]acetamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Method: X-RAY DIFFRACTION (2.686 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8Z	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027 Descriptor: 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.509 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8Q	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427 Descriptor: 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.561 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8V	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.451 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G9D	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Method: X-RAY DIFFRACTION (2.659 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G9G	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Method: X-RAY DIFFRACTION (2.079 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G9H	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102245-001 Descriptor: (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Method: X-RAY DIFFRACTION (2.746 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G82	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010 Descriptor: 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.409 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G83	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 Descriptor: 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.31 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G8Y	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885 Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.75 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
8T7Q	Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors Descriptor: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Tang, Y, Nguyen, V, Wilbur, J.D. Deposit date: 2023-06-21 Release date: 2023-10-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
8T7V	Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde) Descriptor: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... Authors: Bruystens, J.G.H. Deposit date: 2023-06-21 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci, 6, 2023
8PI4	Crystal structure of human insulin desB30 precursor with an Alanine-Methionine-Lysine C-peptide in dimer (T2) conformation Descriptor: Insulin B chain,Insulin A chain Authors: Johansson, E, Schluckebier, G. Deposit date: 2023-06-21 Release date: 2023-11-08 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Molecular engineering of insulin for recombinant expression in yeast. Trends Biotechnol, 42, 2024
8PI5	Crystal structure of human insulin desB30 precursor with an Alanine-Methionine-Lysine C-peptide in hexamer (T3R3) conformation Descriptor: CHLORIDE ION, Insulin B chain,Insulin A chain, RESORCINOL, ... Authors: Johansson, E, Schluckebier, G. Deposit date: 2023-06-21 Release date: 2023-11-08 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Molecular engineering of insulin for recombinant expression in yeast. Trends Biotechnol, 42, 2024
8PI6	Crystal structure of the monomeric zinc free human insulin A22K, B3E, B26E, B29R, desB30 precursor with a Ser-Glu-Asp-Trp-Trp-Arg C-peptide and a Glu-Glu-Gly-Glu-Pro-Arg N-terminal extension Descriptor: Insulin B chain,Insulin A chain Authors: Johansson, E, Schluckebier, G. Deposit date: 2023-06-21 Release date: 2023-11-08 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Molecular engineering of insulin for recombinant expression in yeast. Trends Biotechnol, 42, 2024
8T7T	CryoEM structure of the HisRS-like domain of human GCN2 Descriptor: eIF-2-alpha kinase GCN2 Authors: Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F. Deposit date: 2023-06-21 Release date: 2024-03-13 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: CryoEM structure of the HisRS-like domain of human GCN2 To Be Published
8T7U	ADP-bound Bcs1 (unsymmetrized) Descriptor: ADENOSINE-5'-DIPHOSPHATE, Mitochondrial chaperone BCS1 Authors: Zhan, J, Xia, D. Deposit date: 2023-06-21 Release date: 2024-06-05 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (3.74 Å) Cite: Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
8JT8	Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... Authors: Chen, Z, Fan, L, Wang, S. Deposit date: 2023-06-21 Release date: 2024-02-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
8JT6	5-HT1A-Gi in complex with compound (R)-IHCH-7179 Descriptor: 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. Deposit date: 2023-06-21 Release date: 2024-02-28 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (3 Å) Cite: Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
8T85	Structure of RssB bound to beryllofluoride Descriptor: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... Authors: Brugger, C, Schwartz, J, Deaconescu, A.M. Deposit date: 2023-06-21 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation. J.Biol.Chem., 299, 2023
8T7H	Quis-bound intermediate mGlu5 Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 5, Nanobody 43 Authors: Krishna Kumar, K, Wang, H, Kobilka, B.K. Deposit date: 2023-06-20 Release date: 2023-10-11 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Stepwise activation of a metabotropic glutamate receptor. Nature, 629, 2024
8T7C	Crystal structure of human phospholipase C gamma 2 Descriptor: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION Authors: Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J. Deposit date: 2023-06-20 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.55 Å) Cite: The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition To Be Published

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