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6AVQ	The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha-V beta-3 Integrin via Steric Hindrance Descriptor: Integrin alpha-V, Integrin beta-3, LM609 Fab heavy chain, ... Authors: Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. Deposit date: 2017-09-04 Release date: 2017-11-01 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (35 Å) Cite: The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
1E26	Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. Deposit date: 2000-05-17 Release date: 2001-05-17 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+ Biochemistry, 38, 1999
1SC1	Crystal structure of an active-site ligand-free form of the human caspase-1 C285A mutant Descriptor: CHLORIDE ION, Interleukin-1 beta convertase Authors: Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S. Deposit date: 2004-02-11 Release date: 2004-08-10 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding. Structure, 12, 2004
4P5O	Structure of an RBX1-UBC12~NEDD8-CUL1-DCN1 complex: a RING-E3-E2~ubiquitin-like protein-substrate intermediate trapped in action Descriptor: Cullin-1, DCN1-like protein 1, E3 ubiquitin-protein ligase RBX1, ... Authors: Scott, D.C, Schulman, B.A. Deposit date: 2014-03-18 Release date: 2014-07-02 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3.1071 Å) Cite: Structure of a RING E3 Trapped in Action Reveals Ligation Mechanism for the Ubiquitin-like Protein NEDD8. Cell, 157, 2014
1VSO	Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex With the Antagonist (S)-ATPO at 1.85 A resolution Descriptor: (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, GLYCEROL, Glutamate receptor, ... Authors: Hald, H, Naur, P, Gajhede, M, Kastrup, J.S. Deposit date: 2007-03-29 Release date: 2007-07-03 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid. J.Biol.Chem., 282, 2007
9ITB	LPA-bound LPAR6 in complex with miniGq Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: He, Y, Duan, Y. Deposit date: 2024-07-19 Release date: 2025-01-15 Last modified: 2025-02-05 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: Molecular mechanism of ligand recognition and activation of lysophosphatidic acid receptor LPAR6. Proc.Natl.Acad.Sci.USA, 122, 2025
9ITE	LPA-bound LPAR6 in complex with miniG13 Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: He, Y, Duan, Y. Deposit date: 2024-07-19 Release date: 2025-01-15 Last modified: 2025-02-05 Method: ELECTRON MICROSCOPY (3.06 Å) Cite: Molecular mechanism of ligand recognition and activation of lysophosphatidic acid receptor LPAR6. Proc.Natl.Acad.Sci.USA, 122, 2025
6HCA	STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. Deposit date: 2018-08-14 Release date: 2019-04-03 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.882 Å) Cite: Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett., 10, 2019
6HCB	STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION. Descriptor: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Laulumaa, S, Masternak, M, Frydenvang, K, Kastrup, J.S. Deposit date: 2018-08-14 Release date: 2019-04-03 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett., 10, 2019
7B2K	Structure of the M298F mutant of the Streptomyces coelicolor small laccase T1 copper axial ligand. Descriptor: COPPER (II) ION, Putative copper oxidase Authors: Zovo, K, Majumdar, S, Lukk, T. Deposit date: 2020-11-27 Release date: 2022-02-09 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2). Acs Omega, 7, 2022
8FH2	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION Authors: Doamekpor, S.K, Tong, L. Deposit date: 2022-12-13 Release date: 2023-04-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.59 Å) Cite: A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FGZ	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION Authors: Doamekpor, S.K, Tong, L. Deposit date: 2022-12-13 Release date: 2023-04-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.61 Å) Cite: A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
4C9R	Xenopus ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 crystal form I Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-02 Release date: 2013-11-20 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
8FGY	Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L/T878A with DHT Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor Authors: Doamekpor, S.K, Tong, L. Deposit date: 2022-12-13 Release date: 2023-04-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FH0	Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A with DHT Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION Authors: Doamekpor, S.K, Tong, L. Deposit date: 2022-12-13 Release date: 2023-04-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.59 Å) Cite: A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
8FH1	Crystal structure of mutant Androgen Receptor ligand binding domain F877L/T878A with DHT Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION Authors: Doamekpor, S.K, Tong, L. Deposit date: 2022-12-13 Release date: 2023-04-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.69 Å) Cite: A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations. Acta Crystallogr.,Sect.F, 79, 2023
4C99	Mouse ZNRF3 ectodomain in complex with mouse RSPO2 Fu1-Fu2 crystal form I Descriptor: CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-02 Release date: 2013-11-20 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
5M39	Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 Descriptor: 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 Authors: Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. Deposit date: 2016-10-14 Release date: 2017-09-27 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
3H1X	Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site Descriptor: INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION Authors: Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. Deposit date: 2009-04-14 Release date: 2009-06-09 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site J.Mol.Recognit., 22, 2009
2GIU	Human estrogen receptor beta ligand-binding domain in complex with compound 45 Descriptor: (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta Authors: Fitzgerald, P.M.D, Sharma, N. Deposit date: 2006-03-29 Release date: 2006-10-10 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg.Med.Chem.Lett., 16, 2006
1M5C	X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH Br-HIBO AT 1.65 A RESOLUTION Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2 Authors: Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. Deposit date: 2002-07-09 Release date: 2002-09-18 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core J.Mol.Biol., 322, 2002
1M5D	X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION Authors: Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. Deposit date: 2002-07-09 Release date: 2002-09-18 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core J.Mol.Biol., 322, 2002
1M5F	X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... Authors: Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. Deposit date: 2002-07-09 Release date: 2002-09-18 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core J.Mol.Biol., 322, 2002
4C9E	Mouse ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 (Seleno Met) crystal form II Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-02 Release date: 2013-11-20 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
4C9U	Xenopus ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 crystal form II Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2 Authors: Zebisch, M, Jones, E.Y. Deposit date: 2013-10-03 Release date: 2013-11-20 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013

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