2LYS
| NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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2LYR
| NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 259K (-14 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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2LYP
| NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4H
| Human Arginase 1 in complex with compound 04. | Descriptor: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4G
| Human Arginase 1 in complex with compound 01. | Descriptor: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$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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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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7KLM
| Human Arginase1 Complexed with Inhibitor Compound 24a | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$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-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-10-30 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLK
| Human Arginase1 Complexed with Inhibitor Compound 3a | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$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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4HAB
| Crystal structure of Plk1 Polo-box domain in complex with PL-49 | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION, PL-49, ... | Authors: | Lee, W.C, Song, J.H, Kim, H.Y. | Deposit date: | 2012-09-26 | Release date: | 2013-04-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. Bioorg.Med.Chem., 21, 2013
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4HY2
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6BFB
| Crystal structure of a F. nucleatum FMN riboswitch bound to WG-3 | Descriptor: | 5-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8H-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid, MAGNESIUM ION, RNA (54-MER), ... | Authors: | Rizvi, N.F, Fischmann, T.O. | Deposit date: | 2017-10-26 | Release date: | 2018-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of Selective RNA-Binding Small Molecules by Affinity-Selection Mass Spectrometry. ACS Chem. Biol., 13, 2018
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7C4X
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4TR1
| Crystal structure of GSH-bound cGrx2/C15S | Descriptor: | GLUTATHIONE, Glutaredoxin 3 | Authors: | Lee, E.H, Hwang, K.Y. | Deposit date: | 2014-06-13 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | The GSH- and GSSG-bound structures of glutaredoxin from Clostridium oremlandii. Arch.Biochem.Biophys., 564C, 2014
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4TR0
| Crystal structure of GSSG-bound cGrx2 | Descriptor: | ACETATE ION, Glutaredoxin 3, OXIDIZED GLUTATHIONE DISULFIDE | Authors: | Lee, E.H, Hwang, K.Y. | Deposit date: | 2014-06-13 | Release date: | 2014-10-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | The GSH- and GSSG-bound structures of glutaredoxin from Clostridium oremlandii. Arch.Biochem.Biophys., 564C, 2014
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3I2W
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2QB0
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2QB1
| 2TEL crystallization module | Descriptor: | E80-TELSAM domain | Authors: | Nauli, S, Bowie, J.U. | Deposit date: | 2007-06-15 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Polymer-driven crystallization. Protein Sci., 16, 2007
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2QAR
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7U30
| PRMT5:MEP50 Complexed with Cyclonucleoside Compound 1 | Descriptor: | (9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | Authors: | Palte, R.L. | Deposit date: | 2022-02-25 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and synthesis of unprecedented 9- and 10-membered cyclonucleosides with PRMT5 inhibitory activity. Bioorg.Med.Chem., 66, 2022
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7UP2
| NDM1-inhibitor co-structure | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Scapin, G, Fischmann, T.O. | Deposit date: | 2022-04-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP1
| NDM1-inhibitor co-structure | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | Authors: | Scapin, G, Fischmann, T.O. | Deposit date: | 2022-04-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP3
| NDM1-inhibitor co-structure | Descriptor: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | Authors: | Scapin, G, Fischmann, T.O. | Deposit date: | 2022-04-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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