PDB: 245011 resultsInfo pagesStatus searchChemie searchBIRD

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7FRR	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434906 Descriptor: (benzyloxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 Authors: Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. Deposit date: 2022-10-25 Release date: 2022-11-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
7FQW	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOCR000171b Descriptor: 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 Authors: Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. Deposit date: 2022-10-19 Release date: 2022-11-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
7FRQ	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000217b Descriptor: 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 Authors: Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. Deposit date: 2022-10-24 Release date: 2022-11-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
7FSV	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.25 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
5WBY	Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex Descriptor: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 Authors: Pavletich, N.P, Yang, H. Deposit date: 2017-06-29 Release date: 2017-12-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40. Nature, 552, 2017
7FT9	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 Descriptor: 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.77 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FTA	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380 Descriptor: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.03 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FSJ	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.97 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
4O2P	Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine Descriptor: 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src Authors: Richters, A, Rauh, D. Deposit date: 2013-12-17 Release date: 2015-03-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma. J.Med.Chem., 58, 2015
7FST	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.98 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
2UZB	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2 Authors: Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. Deposit date: 2007-04-27 Release date: 2007-06-26 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
7FTB	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757 Descriptor: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.22 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FT0	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z56767614 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.45 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FT6	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0008 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.85 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FTD	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
4RT1	Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ... Authors: Whitfield, G.B, Whitney, J.C. Deposit date: 2014-11-12 Release date: 2015-04-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa. J.Biol.Chem., 290, 2015
7FT5	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093 Descriptor: 1,2-ETHANEDIOL, 4-(4-methoxyphenyl)oxane-4-carboxylic acid, ALANINE, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.77 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FSO	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770 Descriptor: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.9 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
7FSQ	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185 Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.07 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
4Z9N	ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound Descriptor: 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2015-04-10 Release date: 2015-06-17 Last modified: 2025-04-02 Method: X-RAY DIFFRACTION (1.745 Å) Cite: ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound To Be Published
9JCJ	Cryo-EM structure of asymmetric pannexin 3 heptamer in GDN class 1 Descriptor: Pannexin-3 Authors: Zhang, H, Zhang, H.W, Wang, D. Deposit date: 2024-08-29 Release date: 2025-09-03 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: Cryo-EM structure of asymmetric pannexin 3 heptamer in GDN class 1 To Be Published
6F49	Periplasmic domain of LolC lacking the Hook. Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, GLYCEROL, Lipoprotein-releasing system transmembrane protein LolC,Lipoprotein-releasing system transmembrane protein LolC Authors: Kaplan, E. Deposit date: 2017-11-29 Release date: 2018-07-25 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7FSL	SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z730649594 Descriptor: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-01-24 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.38 Å) Cite: SDCBP PanDDA analysis group deposition To Be Published
5WJ9	Human TRPML1 channel structure in agonist-bound open conformation Descriptor: 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1 Authors: Schmiege, P, Li, X. Deposit date: 2017-07-21 Release date: 2017-10-18 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (3.49 Å) Cite: Human TRPML1 channel structures in open and closed conformations. Nature, 550, 2017
6LI4	Crystal structure of MCR-1-S Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION Authors: Zhang, Q, Wang, M, Sun, H. Deposit date: 2019-12-10 Release date: 2020-09-16 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020

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