PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

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8PGJ	Crystal structure of the metallo-beta-lactamase VIM1 with 2985 Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2985 To Be Published
8DRM	Zn(II)-bound B2 dimer (H60/H100/H104) formed in Zn(II)//Cu(II) (M1 // M2) condition Descriptor: HEME C, Soluble cytochrome b562, ZINC ION Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2022-07-21 Release date: 2022-10-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
7TIY	Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 Descriptor: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... Authors: Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. Deposit date: 2022-01-14 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
7TVF	Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom Descriptor: CHLORIDE ION, GLYCEROL, Leucine-rich repeat protein SHOC-2, ... Authors: Bonsor, D.A, Simanshu, D.K. Deposit date: 2022-02-04 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome. Nat.Struct.Mol.Biol., 29, 2022
8PH0	Crystal structure of the metallo-beta-lactamase VIM1 with 3637 Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3637 To Be Published
6PLJ	A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... Authors: Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. Deposit date: 2019-07-01 Release date: 2020-07-08 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.59 Å) Cite: A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) To Be Published
8DRJ	Apo B2 dimer (H60/H100/H104) formed in the presence of Cu(II) Descriptor: HEME C, SULFATE ION, Soluble cytochrome b562 Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2022-07-21 Release date: 2022-10-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
8PH3	Crystal structure of the metallo-beta-lactamase VIM1 with 3747 Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3747 To Be Published
8PJL	DNA duplex forming base triplets in minor groove Descriptor: DNA (5'-D(*AP*AP*CP*TP*GP*AP*GP*AP*GP*AP*CP*GP*TP*A)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*TP*CP*TP*CP*AP*GP*TP*C)-3'), MAGNESIUM ION, ... Authors: Abdullrahman, A, Cardin, C.J, Hall, J.P. Deposit date: 2023-06-23 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2 Å) Cite: DNA duplex with triplets bases in minor groove To Be Published
6PHI	Crystal structure of native glucagon in space group I41 at 1.1 A resolution Descriptor: CHLORIDE ION, Glucagon Authors: Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D. Deposit date: 2019-06-25 Release date: 2020-07-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.1 Å) Cite: High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement. To Be Published
6VO5	Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4 Descriptor: ACETATE ION, GLYCEROL, Histone H4, ... Authors: Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) Deposit date: 2020-01-30 Release date: 2020-03-11 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4 to be published
6N1X	BshA from Staphylococcus aureus complexed with UDP and N-acetylglucosamine Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE Authors: Royer, C.R, Cook, P.D. Deposit date: 2018-11-12 Release date: 2019-08-21 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: A structural and functional analysis of the glycosyltransferase BshA from Staphylococcus aureus: Insights into the reaction mechanism and regulation of bacillithiol production. Protein Sci., 28, 2019
7TVG	Crystal Structure of SHOC2 to a resolution of 2.4 Angstrom Descriptor: CHLORIDE ION, Leucine-rich repeat protein SHOC-2, SULFATE ION Authors: Bonsor, D.A, Simanshu, D.K. Deposit date: 2022-02-04 Release date: 2022-05-04 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome. Nat.Struct.Mol.Biol., 29, 2022
6PHM	Crystal structure of glucagon analog fully composed of D-amino acids in space group I41 at 1.1 A resolution Descriptor: D-glucagon, SULFATE ION Authors: Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D. Deposit date: 2019-06-25 Release date: 2020-07-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.1 Å) Cite: High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement. To Be Published
8E0Z	DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations Descriptor: CHLORIDE ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive Authors: Berti, P.J, Junop, M.S, Grainger, R. Deposit date: 2022-08-09 Release date: 2022-10-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation. Biochemistry, 61, 2022
8PKS	Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller Descriptor: Kelch-like ECH-associated protein 1 Authors: Wouters, S.M.L. Deposit date: 2023-06-27 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Fragment-based assembly of a symmetric protein scaffold To Be Published
7TNI	Structure of EC12 Y1392W variant of BT-R1 from Manduca sexta, a Cry1A toxin binding domain Descriptor: Cadherin, MAGNESIUM ION Authors: Fisher, A.J, Wilcox, X.E. Deposit date: 2022-01-21 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Functional and Structural Analysis of the Toxin-Binding Site of the Cadherin G-Protein-Coupled Receptor, BT-R 1 , for Cry1A Toxins of Bacillus thuringiensis . Biochemistry, 61, 2022
6PHR	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine amidohydrolase, ... Authors: Osko, J.D, Christianson, D.W. Deposit date: 2019-06-25 Release date: 2019-09-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
8DOS	Crystal structure of Ferredoxin (flavodoxin):NADP(+) oxidoreductase from Klebsiella pneumoniae Descriptor: CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavodoxin/ferredoxin--NADP reductase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-07-14 Release date: 2022-07-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.872 Å) Cite: Crystal structure of Ferredoxin (flavodoxin):NADP(+) oxidoreductase from Klebsiella pneumoniae To be published
8PKQ	Crystal structure of PknD-34, a repeat fragment from the M. tuberculosis PknD beta-propeller Descriptor: non-specific serine/threonine protein kinase Authors: Wouters, S.M.L. Deposit date: 2023-06-27 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Fragment-based assembly of a symmetric protein scaffold To Be Published
6PMX	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.05 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6VP1	Artificial Metalloproteins with Dinuclear Iron Centers Descriptor: ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) Authors: Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. Deposit date: 2020-02-01 Release date: 2021-02-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
8DQC	Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form) Descriptor: 3-dehydroquinate dehydratase I, ACETATE ION, ZINC ION Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-07-18 Release date: 2022-07-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form) To be published
7XGQ	Crystal structure of chitosanase crystallized by ammonium sulfate with glycan Descriptor: chitosanase Authors: Guo, Y, Hoshino, T. Deposit date: 2022-04-05 Release date: 2022-04-20 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Influence of Glycan Agents on Protein Crystallization with Ammonium Sulfate Cryst.Growth Des., 2022
6PN7	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.878 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020

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