8VJB
 
 | | Cryo-EM structure of short form insulin receptor (IR-A) with four IGF2 bound, symmetric conformation. | | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2024-01-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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8VJC
 | | Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation. | | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2024-01-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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2V9Z
 | | Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity | | Descriptor: | HALOALKANE DEHALOGENASE | | Authors: | Koudelakova, T, Prokop, Z, Sato, Y, Lapkouski, M, Chovancova, E, Monincova, M, Jesenska, A, Emmer, J, Senda, T, Nagata, Y, Kuta Smatanova, I, Damborsky, J. | | Deposit date: | 2007-08-28 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Rational Engineering of Rhodococcus Haloalkane Dehalogenase with Enhanced Enantioselectivity
To be Published
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5TDA
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5TDD
 | | Human UBR-box from UBR2 in complex with HIFS peptide | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UBR2, HIS-ILE-PHE-SER peptide, ... | | Authors: | Munoz-Escobar, J, Kozlov, G, Gehring, K. | | Deposit date: | 2016-09-19 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
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5UM3
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5TDB
 | | Crystal structure of the human UBR-box domain from UBR2 in complex with asymmetrically double methylated arginine peptide | | Descriptor: | 1,2-ETHANEDIOL, DA2-ILE-PHE-SER peptide, E3 ubiquitin-protein ligase UBR2, ... | | Authors: | Munoz-Escobar, J, Kozlov, G, Gehring, K. | | Deposit date: | 2016-09-19 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
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5XEQ
 | | Crystal Structure of human MDGA1 and human neuroligin-2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, ... | | Authors: | Kim, H.M, Kim, J.A, Kim, D. | | Deposit date: | 2017-04-05 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.136 Å) | | Cite: | Structural Insights into Modulation of Neurexin-Neuroligin Trans-synaptic Adhesion by MDGA1/Neuroligin-2 Complex
Neuron, 94, 2017
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7ERQ
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7ERP
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7FDF
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7LRQ
 | | Crystal structure of human SFPQ/NONO heterodimer, conserved DBHS region | | Descriptor: | CHLORIDE ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ... | | Authors: | Marshall, A.C, Bond, C.S, Mohnen, I. | | Deposit date: | 2021-02-17 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Paraspeckle subnuclear bodies depend on dynamic heterodimerisation of DBHS RNA-binding proteins via their structured domains.
J.Biol.Chem., 298, 2022
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8RON
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8ROM
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7RWN
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7RWP
 | | Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | | Descriptor: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7RWQ
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | | Descriptor: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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7RWO
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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4NCG
 | | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Yan, Y. | | Deposit date: | 2013-10-24 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
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8CC4
 | | LasB bound to phosphonic acid based inhibitor | | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | | Authors: | Mueller, R, Sikandar, A. | | Deposit date: | 2023-01-26 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
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5OWH
 | | High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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5OWL
 | | Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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7ODU
 | | Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11, ... | | Authors: | Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J. | | Deposit date: | 2021-04-30 | | Release date: | 2022-06-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
To Be Published
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6S9B
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6S9C
 | | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | | Authors: | Bader, G. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
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