7LAB
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7LAA
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5KIT
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7LD1
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7LCN
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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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4J
| Human Arginase 1 in complex with compound 51. | Descriptor: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$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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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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | Authors: | Palte, R.L. | Deposit date: | 2020-09-15 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4K
| Human Arginase 1 in complex with compound 52. | Descriptor: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$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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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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7RRC
| IDO1 IN COMPLEX WITH COMPOUND 14 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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7RRB
| IDO1 IN COMPLEX WITH COMPOUND 9 | Descriptor: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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5IME
| Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Li, D, Wang, W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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7LJR
| SARS-CoV-2 Spike Protein Trimer bound to DH1043 fab | Descriptor: | Fab DH1043 heavy chain, Fab DH1043 light chain, Spike glycoprotein | Authors: | Gobeil, S, Acharya, P. | Deposit date: | 2021-01-30 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | The functions of SARS-CoV-2 neutralizing and infection-enhancing antibodies in vitro and in mice and nonhuman primates. Biorxiv, 2021
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6IZ5
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7BH8
| 3H4-Fab HLA-E-VL9 co-complex | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | Authors: | Walters, L.C, Rozbesky, D. | Deposit date: | 2021-01-10 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity. Commun Biol, 5, 2022
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3LGP
| Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor | Descriptor: | (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION | Authors: | Orth, P. | Deposit date: | 2010-01-21 | Release date: | 2010-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and activity relationships of tartrate-based TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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8I2Q
| Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y | Descriptor: | Beta-fructosyltransferase, GLYCEROL | Authors: | Tonozuka, T. | Deposit date: | 2023-01-15 | Release date: | 2023-06-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase. Biosci.Biotechnol.Biochem., 87, 2023
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8I2R
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4R0U
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4R0P
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4R0W
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7C8P
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6RJ3
| Crystal structure of PHGDH in complex with compound 15 | Descriptor: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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4WBX
| Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2014-09-04 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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