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PDB: 60 件
4FCI
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Crystal Structure of the Mn2+2-Human Arginase I-AGPA Complex
分子名称: 2-AMINO-3-GUANIDINO-PROPIONIC ACID, Arginase-1, MANGANESE (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2012-05-25
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Binding of the unreactive substrate analog L-2-amino-3-guanidinopropionic acid (dinor-L-arginine) to human arginase I.
Acta Crystallogr.,Sect.F, 68, 2012
6V7D
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BU of 6v7d by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10
分子名称: Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
著者Palte, R.L, Lesburg, C.A.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
8E5M
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BU of 8e5m by Molmil
Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6
分子名称: 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
著者Palte, R.L, Gathiaka, S.
登録日2022-08-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
3THH
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BU of 3thh by Molmil
Crystal structure of the Co2+2-HAI-ABH complex
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, COBALT (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2011-08-19
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
4FCK
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BU of 4fck by Molmil
Crystal Structure of the Co2+2-Human Arginase I-AGPA Complex
分子名称: 2-AMINO-3-GUANIDINO-PROPIONIC ACID, Arginase-1, COBALT (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2012-05-25
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding of the unreactive substrate analog L-2-amino-3-guanidinopropionic acid (dinor-L-arginine) to human arginase I.
Acta Crystallogr.,Sect.F, 68, 2012
3LP4
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BU of 3lp4 by Molmil
Crystal structure of human arginase I in complex with L-LYSINE, 1.90A Resolution.
分子名称: Arginase-1, LYSINE, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2010-02-04
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of human arginase I by substrate and product analogues.
Arch.Biochem.Biophys., 496, 2010
3MFV
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BU of 3mfv by Molmil
Crystal structure of human arginase I in complex with 2-aminohomohistidine
分子名称: (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2010-04-04
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.
J.Med.Chem., 53, 2010
3MJL
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BU of 3mjl by Molmil
Crystal structure of human arginase I in complex with 2-aminoimidazole. Resolution 1.90 A.
分子名称: 1H-imidazol-2-amine, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2010-04-13
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human arginase I in complex with 2-aminoimidazole. Resolution 1.90 A.
To be Published
2PHA
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BU of 2pha by Molmil
Crystal structure of native, unliganded human arginase at 1.90 resolution
分子名称: Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Pique, M.E, Christianson, D.W.
登録日2007-04-10
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
2PLL
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BU of 2pll by Molmil
Crystal structure of perdeuterated human arginase I
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1
著者Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W.
登録日2007-04-19
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
4GWC
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BU of 4gwc by Molmil
Crystal Structure of Mn2+2,Zn2+-Human Arginase I
分子名称: Arginase-1, MANGANESE (II) ION, ZINC ION
著者D'Antonio, E.L, Hai, Y, Christianson, D.W.
登録日2012-09-01
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
1WVA
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BU of 1wva by Molmil
Crystal structure of human arginase I from twinned crystal
分子名称: Arginase 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
著者Di Costanzo, L, Sabio, G, Mora, A, Rodriguez, P.C, Ochoa, A.C, Centeno, F, Christianson, D.W.
登録日2004-12-14
公開日2005-09-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献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
7K4J
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BU of 7k4j by Molmil
Human Arginase 1 in complex with compound 51.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
2PHO
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BU of 2pho by Molmil
Crystal structure of human arginase I complexed with thiosemicarbazide at 1.95 resolution
分子名称: Arginase-1, HYDRAZINECARBOTHIOAMIDE, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2007-04-11
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
3THE
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BU of 3the by Molmil
Crystal structure of Co2+2-HAI (pH 8.5)
分子名称: Arginase-1, BICINE, COBALT (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2011-08-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
7K4I
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Human Arginase 1 in complex with compound 06.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6V7E
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BU of 6v7e by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12
分子名称: 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
著者Palte, R.L.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
4IE1
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BU of 4ie1 by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 1h
分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
著者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.
登録日2012-12-13
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6V7F
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BU of 6v7f by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13
分子名称: 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-)
著者Palte, R.L, Lesburg, C.A.
登録日2019-12-08
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
3LP7
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BU of 3lp7 by Molmil
Crystal structure of Human Arginase I in complex with inhibitor N(omega)-hydroxy-L-arginine (NOHA), 2.04A Resolution
分子名称: Arginase-1, MANGANESE (II) ION, N-OMEGA-HYDROXY-L-ARGININE
著者Di Costanzo, L, Christianson, D.W.
登録日2010-02-04
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Inhibition of human arginase I by substrate and product analogues.
Arch.Biochem.Biophys., 496, 2010
3E6K
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X-ray structure of Human Arginase I: the mutant D183A in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2008-08-15
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3TH7
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BU of 3th7 by Molmil
Crystal structure of unliganded Co2+2-HAI (pH 7.0)
分子名称: Arginase-1, COBALT (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2011-08-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
8AUP
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BU of 8aup by Molmil
Structure of hARG1 with a novel inhibitor.
分子名称: (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, ...
著者Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M.
登録日2022-08-25
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy.
Mol.Cancer Ther., 22, 2023
4GSZ
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BU of 4gsz by Molmil
Crystal Structure of the Zn2+5-Human Arginase I-ABH Complex
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, ZINC ION
著者D'Antonio, E.L, Hai, Y, Christianson, D.W.
登録日2012-08-28
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
7KLL
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Human Arginase1 Complexed with Inhibitor Compound 18
分子名称: 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
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献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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