6G4Z
| Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f | Descriptor: | 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6G4Y
| Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | Descriptor: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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6DNB
| Crystal structure of T110A:S256A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | Descriptor: | Aspartate aminotransferase, cytoplasmic, GLYCEROL, ... | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | Deposit date: | 2018-06-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors. Biochemistry, 57, 2018
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6GYI
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6GH7
| WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{R})-pyrrolidin-3-yl]pentanamide, Streptavidin | Authors: | Nodling, A.R, Tsai, Y.H, Luk, L.Y.P, Rizkallah, P, Jin, Y. | Deposit date: | 2018-05-04 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Reactivity and Selectivity of Iminium Organocatalysis Improved by a Protein Host. Angew.Chem.Int.Ed.Engl., 57, 2018
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6WQ2
| Cryo-EM of the S. islandicus filamentous virus, SIFV | Descriptor: | A-DNA, Structural protein MCP1, Structural protein MCP2 | Authors: | Wang, F, Baquero, D.P, Su, Z, Zheng, W, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2020-04-28 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of filamentous viruses infecting hyperthermophilic archaea explain DNA stabilization in extreme environments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WMI
| ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | Authors: | Ren, R, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-21 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression. Mol.Cell, 81, 2021
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5DJM
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3VJ6
| Structure of the MHC class Ib molecule Qa-1b | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-37 alpha chain, ... | Authors: | Zeng, L, Clements, C.S, Rossjohn, J. | Deposit date: | 2011-10-12 | Release date: | 2012-03-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A structural basis for antigen presentation by the MHC class Ib molecule, Qa-1b J.Immunol., 188, 2012
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5DYQ
| AbyU L73M L139M | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | Authors: | Byrne, M.J, Race, P.R. | Deposit date: | 2015-09-25 | Release date: | 2016-06-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail. J.Am.Chem.Soc., 138, 2016
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6XGU
| Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | GLYCEROL, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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5ETW
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-18 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1. J.Med.Chem., 59, 2016
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5FHV
| Crystal structure of mCherry after reaction with 2-mercaptoethanol | Descriptor: | BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | Deposit date: | 2015-12-22 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Efficient switching of mCherry fluorescence using chemical caging. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6XI7
| Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I) | Descriptor: | CHLORIDE ION, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Chan, A.H, Tran, T.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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6XGV
| Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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6XHB
| Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II) | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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5EGM
| Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6WL1
| Cryo-EM of Form 1 related peptide filament, 36-31-3 | Descriptor: | peptide 36-31-3 | Authors: | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | Deposit date: | 2020-04-17 | Release date: | 2020-12-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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6WL0
| Cryo-EM of Form 1 related peptide filament, 36-31-3-RD | Descriptor: | peptide 36-31-3-RD | Authors: | Wang, F, Gnewou, O.M, Su, Z, Egelman, E.H, Conticello, V.P. | Deposit date: | 2020-04-17 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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6XHA
| Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | Descriptor: | CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-18 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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3YPI
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5EK3
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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4AIF
| AIP TPR domain in complex with human Hsp90 peptide | Descriptor: | AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION | Authors: | Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2012-02-09 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition. Plos One, 7, 2012
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6WKY
| Cryo-EM of Form 1 related peptide filament, 29-24-3 | Descriptor: | peptide 29-24-3 | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | Deposit date: | 2020-04-17 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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5DYV
| AbyU - wildtype | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | Authors: | Race, P.R, Byrne, M.J. | Deposit date: | 2015-09-25 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail. J.Am.Chem.Soc., 138, 2016
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