7KIC
 
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KD4
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7KLK
 | | Human Arginase1 Complexed with Inhibitor Compound 3a | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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7KLM
 | | Human Arginase1 Complexed with Inhibitor Compound 24a | | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$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
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7KLL
 | | Human Arginase1 Complexed with Inhibitor Compound 18 | | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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7KD5
 | | Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P212121 | | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein and Phosphoprotein fusion protein, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | Authors: | Webby, M.N, Kingston, R.L. | | Deposit date: | 2020-10-08 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
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7K4I
 | | Human Arginase 1 in complex with compound 06. | | Descriptor: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$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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7K4G
 | | Human Arginase 1 in complex with compound 01. | | Descriptor: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7K4H
 | | Human Arginase 1 in complex with compound 04. | | Descriptor: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$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
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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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7K4K
 | | Human Arginase 1 in complex with compound 52. | | Descriptor: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$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
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7KSL
 | | Substrate-free human mitochondrial LONP1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | | Deposit date: | 2020-11-23 | | Release date: | 2020-12-09 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
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7KSM
 | | Human mitochondrial LONP1 with endogenous substrate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | | Deposit date: | 2020-11-23 | | Release date: | 2020-12-02 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
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7KRZ
 | | Human mitochondrial LONP1 in complex with Bortezomib | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ... | | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | | Deposit date: | 2020-11-20 | | Release date: | 2021-02-24 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
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7L1G
 | | PRMT5-MEP50 Complexed with SAM | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-12-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Development of a Flexible and Robust Synthesis of Tetrahydrofuro[3,4- b ]furan Nucleoside Analogues.
J.Org.Chem., 86, 2021
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7LEX
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7LEY
 | | Trimeric human Arginase 1 in complex with mAb5 | | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb5 heavy chain, ... | | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | | Deposit date: | 2021-01-15 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.05 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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7LF0
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7LF2
 | | Trimeric human Arginase 1 in complex with mAb4 | | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb4 monoclonal antibody heavy chain, ... | | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | | Deposit date: | 2021-01-15 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.72 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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7LEZ
 | | Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:2 mAb1 complex | | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb1 heavy chain, ... | | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | | Deposit date: | 2021-01-15 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (4.15 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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7LF1
 | | Trimeric human Arginase 1 in complex with mAb3 | | Descriptor: | Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ... | | Authors: | Gomez-Llorente, Y, Scapin, G, Palte, R.L. | | Deposit date: | 2021-01-15 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (4.04 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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7KUU
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7LVS
 | | The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide | | Descriptor: | Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone lysine acetyltransferase CREBBP, ZINC ION | | Authors: | Appling, F.D, Berlow, R.B, Stanfield, R.L, Dyson, H.J, Wright, P.E. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-28 | | Last modified: | 2021-12-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The molecular basis of allostery in a facilitated dissociation process.
Structure, 29, 2021
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5KBK
 | | Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant | | Descriptor: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | | Authors: | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-06-03 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.411 Å) | | Cite: | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
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3LV4
 | | Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis. Northeast Structural Genomics Consortium Target BiR14. | | Descriptor: | ACETATE ION, CALCIUM ION, Glycoside hydrolase YxiA | | Authors: | Vorobiev, S, Abashidze, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-19 | | Release date: | 2010-03-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis.
To be Published
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