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8IUS	Crystal structure of Manganese-free N(omega)-hydroxy-L-arginine hydrolase with reduced Cys86 Descriptor: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase Authors: Oda, K, Matoba, Y. Deposit date: 2023-03-25 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd To Be Published
8IUW	Crystal structure of Copper-bound N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86 Descriptor: COPPER (I) ION, COPPER (II) ION, MAGNESIUM ION, ... Authors: Oda, K, Matoba, Y. Deposit date: 2023-03-25 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd To Be Published
8IUT	Crystal structure of Copper-bound N(omega)-hydroxy-L-arginine hydrolase with reduced Cys86 Descriptor: COPPER (I) ION, COPPER (II) ION, MAGNESIUM ION, ... Authors: Oda, K, Matoba, Y. Deposit date: 2023-03-25 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd To Be Published
8IUU	Crystal structure of Manganese-rebound N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86 Descriptor: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase Authors: Oda, K, Matoba, Y. Deposit date: 2023-03-25 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd To Be Published
8IUV	Crystal structure of Manganese-free N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86 Descriptor: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase Authors: Oda, K, Matoba, Y. Deposit date: 2023-03-25 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd To Be Published
8C0H	Crystal structure of guanidinase from Nitrospira inopinata Descriptor: NICKEL (II) ION, Putative agmatinase 2, SULFATE ION Authors: Puehringer, D. Deposit date: 2022-12-16 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Growth of complete ammonia oxidizers on guanidine To Be Published
8AUP	Structure of hARG1 with a novel inhibitor. Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... Authors: Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. Deposit date: 2022-08-25 Release date: 2023-03-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy. Mol.Cancer Ther., 22, 2023
8E5N	Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10 Descriptor: 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L, Gathiaka, S. Deposit date: 2022-08-22 Release date: 2023-03-08 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.538 Å) Cite: Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. Bioorg.Med.Chem.Lett., 84, 2023
8E5M	Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6 Descriptor: 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L, Gathiaka, S. Deposit date: 2022-08-22 Release date: 2023-03-08 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. Bioorg.Med.Chem.Lett., 84, 2023
8D27	Arginase Domain of Ornithine Decarboxylase/Arginase from Fusobacterium nucleatum Descriptor: Arginase Authors: Chan, A.C, Kolesnikov, M, Murphy, M.E. Deposit date: 2022-05-27 Release date: 2022-07-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Sequence Divergence in the Arginase Domain of Ornithine Decarboxylase/Arginase in Fusobacteriacea Leads to Loss of Function in Oral Associated Species. Biochemistry, 61, 2022
7EUL	Crystal structure of C86H-H196S mutant of N(omega)-hydroxy-L-arginine hydrolase Descriptor: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase Authors: Oda, K, Matoba, Y. Deposit date: 2021-05-18 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Catalytic mechanism of DcsB: Arginase framework used for hydrolyzing its inhibitor. Protein Sci., 31, 2022
7EUQ	Crystal structure of C86H-Y124N-G126H-H196S mutant of N(omega)-hydroxy-L-arginine hydrolase Descriptor: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase Authors: Oda, K, Matoba, Y. Deposit date: 2021-05-18 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Catalytic mechanism of DcsB: Arginase framework used for hydrolyzing its inhibitor. Protein Sci., 31, 2022
7EUK	Crystal structure of N(omega)-hydroxy-L-arginine hydrolase in complex with L-Orn Descriptor: L-ornithine, MAGNESIUM ION, MANGANESE (II) ION, ... Authors: Oda, K, Matoba, Y. Deposit date: 2021-05-18 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Catalytic mechanism of DcsB: Arginase framework used for hydrolyzing its inhibitor. Protein Sci., 31, 2022
7EUN	Crystal structure of N(omega)-hydroxy-L-arginine hydrolase in complex with ABH Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... Authors: Oda, K, Matoba, Y. Deposit date: 2021-05-18 Release date: 2022-05-18 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Catalytic mechanism of DcsB: Arginase framework used for hydrolyzing its inhibitor. Protein Sci., 31, 2022
7ESR	Crystal structure of Synechocystis sp PCC6803 guanidinium hydrolase (R32) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Mayans, O.M, Fleming, J.R. Deposit date: 2021-05-11 Release date: 2021-12-15 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Discovery of a Ni 2+ -dependent guanidine hydrolase in bacteria. Nature, 603, 2022
7OI1	Crystal structure of Synechocystis sp PCC6803 guanidinium hydrolase Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... Authors: Fleming, J.R, Mayans, O.M. Deposit date: 2021-05-11 Release date: 2021-12-15 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of a Ni 2+ -dependent guanidine hydrolase in bacteria. Nature, 603, 2022
7K4G	Human Arginase 1 in complex with compound 01. Descriptor: 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-09-15 Release date: 2021-12-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
7K4H	Human Arginase 1 in complex with compound 04. Descriptor: 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-09-15 Release date: 2021-12-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
7K4J	Human Arginase 1 in complex with compound 51. Descriptor: 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-09-15 Release date: 2021-12-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
7K4K	Human Arginase 1 in complex with compound 52. Descriptor: 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-09-15 Release date: 2021-12-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
7K4I	Human Arginase 1 in complex with compound 06. Descriptor: 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-09-15 Release date: 2021-10-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
7KLK	Human Arginase1 Complexed with Inhibitor Compound 3a Descriptor: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... Authors: Palte, R.L. Deposit date: 2020-10-30 Release date: 2021-09-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
7KLM	Human Arginase1 Complexed with Inhibitor Compound 24a Descriptor: 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-10-30 Release date: 2021-09-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
7KLL	Human Arginase1 Complexed with Inhibitor Compound 18 Descriptor: 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION Authors: Palte, R.L. Deposit date: 2020-10-30 Release date: 2021-09-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
7LEX	Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:3 mAb1 complex Descriptor: Arginase-1, mAb1 heavy chain, mAb1 light chain Authors: Gomez-Llorente, Y, Scapin, G, Palte, R.L. Deposit date: 2021-01-15 Release date: 2021-09-01 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action. Commun Biol, 4, 2021

 

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