6V7D
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![BU of 6v7d by Molmil](/molmil-images/mine/6v7d) | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | Descriptor: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | Authors: | Palte, R.L, Lesburg, C.A. | Deposit date: | 2019-12-08 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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4FCI
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8E5M
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![BU of 8e5m by Molmil](/molmil-images/mine/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
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3THH
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![BU of 3thh by Molmil](/molmil-images/mine/3thh) | |
3MJL
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![BU of 3mjl by Molmil](/molmil-images/mine/3mjl) | |
3MFV
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![BU of 3mfv by Molmil](/molmil-images/mine/3mfv) | |
4FCK
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![BU of 4fck by Molmil](/molmil-images/mine/4fck) | |
4GWC
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![BU of 4gwc by Molmil](/molmil-images/mine/4gwc) | Crystal Structure of Mn2+2,Zn2+-Human Arginase I | Descriptor: | Arginase-1, MANGANESE (II) ION, ZINC ION | Authors: | D'Antonio, E.L, Hai, Y, Christianson, D.W. | Deposit date: | 2012-09-01 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of non-native metal clusters in human arginase I. Biochemistry, 51, 2012
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2PHA
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![BU of 2pha by Molmil](/molmil-images/mine/2pha) | |
2PLL
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![BU of 2pll by Molmil](/molmil-images/mine/2pll) | Crystal structure of perdeuterated human arginase I | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | Deposit date: | 2007-04-19 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I Arch.Biochem.Biophys., 465, 2007
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3LP4
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1WVA
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![BU of 1wva by Molmil](/molmil-images/mine/1wva) | Crystal structure of human arginase I from twinned crystal | Descriptor: | Arginase 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE | Authors: | Di Costanzo, L, Sabio, G, Mora, A, Rodriguez, P.C, Ochoa, A.C, Centeno, F, Christianson, D.W. | Deposit date: | 2004-12-14 | Release date: | 2005-09-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of human arginase I at 1.29 A resolution and exploration of inhibition in the immune response Proc.Natl.Acad.Sci.Usa, 102, 2005
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7K4J
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![BU of 7k4j by Molmil](/molmil-images/mine/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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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2PHO
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3THE
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![BU of 3the by Molmil](/molmil-images/mine/3the) | |
7K4I
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![BU of 7k4i by Molmil](/molmil-images/mine/7k4i) | Human Arginase 1 in complex with compound 06. | Descriptor: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$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
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6V7E
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![BU of 6v7e by Molmil](/molmil-images/mine/6v7e) | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12 | Descriptor: | 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2019-12-08 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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4IE1
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![BU of 4ie1 by Molmil](/molmil-images/mine/4ie1) | Crystal structure of human Arginase-1 complexed with inhibitor 1h | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A. | Deposit date: | 2012-12-13 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0006 Å) | Cite: | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6V7F
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![BU of 6v7f by Molmil](/molmil-images/mine/6v7f) | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13 | Descriptor: | Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) | Authors: | Palte, R.L, Lesburg, C.A. | Deposit date: | 2019-12-08 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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3LP7
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![BU of 3lp7 by Molmil](/molmil-images/mine/3lp7) | |
3TH7
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![BU of 3th7 by Molmil](/molmil-images/mine/3th7) | |
3E6K
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8AUP
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![BU of 8aup by Molmil](/molmil-images/mine/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
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4GSZ
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7KLL
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![BU of 7kll by Molmil](/molmil-images/mine/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
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