PDB: 242842 resultsInfo pagesStatus searchChemie searchBIRD

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8I36	Crystal structure of AtHPPD-Y18980 complex Descriptor: 1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Dong, J, Lin, H.-Y, Yang, G.-F. Deposit date: 2023-01-16 Release date: 2023-12-20 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.887 Å) Cite: Crystal structure of AtHPPD-Y18980 complex To Be Published
1XIA	COMPARISON OF BACKBONE STRUCTURES OF GLUCOSE ISOMERASE FROM STREPTOMYCES AND ARTHROBACTER Descriptor: D-XYLOSE ISOMERASE Authors: Blow, D.M. Deposit date: 1988-02-24 Release date: 1988-04-16 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comparison of backbone structures of glucose isomerase from Streptomyces and Arthrobacter. Protein Eng., 1, 1987
6NQU	Human LSD1 in complex with GSK2879552 Descriptor: Lysine-specific histone demethylase 1A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate Authors: Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. Deposit date: 2019-01-21 Release date: 2019-02-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer. Front Immunol, 10, 2019
9Q4T	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
6OND	Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, reduced Descriptor: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ... Authors: Wittenborn, E.C, Cohen, S.E, Drennan, C.L. Deposit date: 2019-04-21 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.723 Å) Cite: Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase. J.Biol.Chem., 294, 2019
6ONC	Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, as-isolated Descriptor: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ... Authors: Wittenborn, E.C, Cohen, S.E, Drennan, C.L. Deposit date: 2019-04-21 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase. J.Biol.Chem., 294, 2019
9Q4V	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine, Nitric oxide synthase, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4S	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4W	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.931 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4J	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
1FB5	LOW RESOLUTION STRUCTURE OF OVINE ORNITHINE TRANSCARBMOYLASE IN THE UNLIGANDED STATE Descriptor: NORVALINE, ORNITHINE TRANSCARBAMOYLASE Authors: Zanotti, G, Battistutta, R, Panzalorto, M, Francescato, P, Bruno, G, De Gregorio, A. Deposit date: 2000-07-14 Release date: 2003-08-26 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Functional and structural characterization of ovine ornithine transcarbamoylase. Org.Biomol.Chem., 1, 2003
9Q58	Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9RIS	Crystal structure of human IDO1 in complex with iDeg-1 Descriptor: Indoleamine 2,3-dioxygenase 1, TRIETHYLENE GLYCOL, [(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-methylphenyl)carbamate Authors: Lucas, B, Lucas, M, Ziegler, S, Waldmann, H, Gasper, R. Deposit date: 2025-06-11 Release date: 2025-10-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Identification of a Monovalent Pseudo-Natural Product Degrader Class Supercharging Degradation of IDO1 by its native E3 KLHDC3 To be published
9Q4U	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.922 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4M	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.065 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4K	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.198 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4O	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.116 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q4N	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.148 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
8OMX	NI,FE-CODH -600mV state : 1 min Dioxygen Exposure Descriptor: Carbon monoxide dehydrogenase 2, FE (II) ION, FE(4)-NI(1)-S(5) CLUSTER, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2023-03-31 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase. Angew.Chem.Int.Ed.Engl., 62, 2023
3FL6	Influence of the incorporation of a cyclohexenyl nucleic acid (CeNA) residue onto the sequence d(GCGTGCG)/d(CGCACGC) Descriptor: 5'-D(*CP*GP*CP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*(XTR)P*GP*CP*G)-3', COBALT HEXAMMINE(III) Authors: Robeyns, K, Herdewijn, P, Van Meervelt, L. Deposit date: 2008-12-18 Release date: 2009-12-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Direct observation of two cyclohexenyl (CeNA) ring conformations in duplex DNA. Artif DNA PNA XNA, 1, 2010
8GWD	Crystal structure of AtHPPD-Y18734 complex Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1S)-1-phenylethyl]quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2022-09-16 Release date: 2023-09-20 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.889 Å) Cite: Crystal structure of AtHPPD-Y18734 complex To Be Published
9Q55	Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q53	Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q52	Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Highly potent, selective, and membrane permeable ether linked 2-aminopyridine-based human neuronal nitric oxide synthase inhibitors To Be Published
9Q54	Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2025-08-20 Release date: 2025-09-10 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors To Be Published

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