6MVQ
| HCV NS5B 1b N316 bound to Compound 31 | Descriptor: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6WNF
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6WP1
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6WP0
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6WP2
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4IMK
| Uncrossed Fab binding to human Angiopoietin 2 | Descriptor: | GLYCEROL, Heavy Chain, Light Chain, ... | Authors: | Fenn, S, Schiller, C, Griese, J.J, Hopfner, K.-P, Kettenberger, H. | Deposit date: | 2013-01-03 | Release date: | 2013-04-17 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain. Plos One, 8, 2013
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4IML
| CrossFab binding to human Angiopoietin 2 | Descriptor: | Crossed heavy chain (VH-Ckappa), Crossed light chain (VL-CH1), GLYCEROL | Authors: | Fenn, S, Schiller, C, Griese, J, Hopfner, K.-P, Kettenberger, H. | Deposit date: | 2013-01-03 | Release date: | 2013-04-17 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.931 Å) | Cite: | Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain. Plos One, 8, 2013
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6WNJ
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6YAU
| CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A. | Descriptor: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.397 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6YG9
| CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | Descriptor: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-27 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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3CGT
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8D6H
| Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V after UV irradiation | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ... | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B. | Deposit date: | 2022-06-06 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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8D6N
| Q108K:K40L:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ... | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B. | Deposit date: | 2022-06-06 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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8DB2
| Q108K:K40L:T51C:T53A:R58L:Q38F mutant of hCRBPII bound to synthetic fluorophore CM1V | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, Retinol-binding protein 2 | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B, Staples, R. | Deposit date: | 2022-06-14 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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8DN1
| Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V at pH 7.2 | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ... | Authors: | Bingham, C.R, Borhan, B, Geiger, J.H. | Deposit date: | 2022-07-10 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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8D6L
| Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ... | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B. | Deposit date: | 2022-06-06 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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5KML
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5KMN
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5KMK
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5KMO
| TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea | Descriptor: | 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor | Authors: | Su, H.P. | Deposit date: | 2016-06-27 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KMI
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5KMM
| TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea | Descriptor: | 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor | Authors: | Su, H.P. | Deposit date: | 2016-06-27 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KMJ
| TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide | Descriptor: | High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide | Authors: | Su, H.P. | Deposit date: | 2016-06-27 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural characterization of nonactive site, TrkA-selective kinase inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3NBP
| HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | Descriptor: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Harris, S.F, Villasenor, A.G. | Deposit date: | 2010-06-03 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
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5DPQ
| Crystal Structure of E72A mutant of domain swapped dimer Human Cellular Retinol Binding Protein | Descriptor: | ACETATE ION, Retinol-binding protein 2 | Authors: | Assar, Z, Nossoni, Z, Wang, W, Geiger, J.H, Borhan, B. | Deposit date: | 2015-09-14 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.775 Å) | Cite: | Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates. Structure, 24, 2016
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