5DJX
 
 | | Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5DMZ
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5DVK
 | | Fc Design 7.7 B chain homodimer T366V/K409I | | Descriptor: | Ig gamma-1 chain C region | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-30 | | Last modified: | 2016-04-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5DW5
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5E0E
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3ECI
 | | Microtubule-associated protein 1 light chain 3 alpha isoform A (MAP1ALC3) | | Descriptor: | Microtubule-associated protein 1 light chain 3 alpha | | Authors: | Walker, J.R, Davis, T.L, Mujib, S, Butler-Cole, C, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S. | | Deposit date: | 2008-08-30 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Human Autophagy-Related Protein LC3 A
To be Published
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5DVM
 | | Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-30 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5DW6
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8T9U
 | | Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG) | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... | | Authors: | Terrell, J.R, Poon, G.M.K. | | Deposit date: | 2023-06-26 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
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3EBB
 | | PLAP/P97 complex | | Descriptor: | MAGNESIUM ION, PHOSPHOLIPASE A2-ACTIVATING PROTEIN, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE (TER ATP | | Authors: | Walker, J.R, Qiu, L, Akutsu, M, Slessarev, Y, Amaya, M.F, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-27 | | Release date: | 2009-02-24 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of the PLAA/Ufd3-p97/Cdc48 complex.
J.Biol.Chem., 285, 2010
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3EML
 | | The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Human Adenosine A2A receptor/T4 lysozyme chimera, STEARIC ACID, ... | | Authors: | Jaakola, V.-P, Griffith, M.T, Hanson, M.A, Cherezov, V, Chien, E.Y.T, Lane, J.R, Ijzerman, A.P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2008-09-24 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist.
Science, 322, 2008
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3EJW
 | | Crystal Structure of the Sinorhizobium meliloti AI-2 receptor, SmLsrB | | Descriptor: | (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, SmLsrB | | Authors: | Miller, S.T, McAuley, J.R, Pereira, C, Xavier, K.B, Taga, M.E. | | Deposit date: | 2008-09-18 | | Release date: | 2008-12-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sinorhizobium meliloti, a bacterium lacking the autoinducer-2 (AI-2) synthase, responds to AI-2 supplied by other bacteria.
Mol.Microbiol., 70, 2008
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5E16
 | | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-29 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3EBQ
 | | Crystal structure of human PPPDE1 | | Descriptor: | MERCURY (II) ION, MOLECULE: PPPDE1 (PERMUTED PAPAIN FOLD PEPTIDASES OF DSRNA VIRUSES AND EUKARYOTES 1), UPF0326 protein FAM152B | | Authors: | Walker, J.R, Akutsu, M, Qiu, L, Li, Y, Slessarev, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-28 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Human PPPDE1
To be Published
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5EA9
 | | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... | | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | | Deposit date: | 2015-10-15 | | Release date: | 2016-10-19 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
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5EAL
 | | Crystal structure of human WDR5 in complex with compound 9h | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ... | | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-16 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human WDR5 in complex with compound 9h
to be published
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3ELA
 | | Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor | | Descriptor: | CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ... | | Authors: | Bjelke, J.R, Fodje, M, Svensson, L.A. | | Deposit date: | 2008-09-21 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
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3EPZ
 | | Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1 | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ... | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1.
J.Biol.Chem., 286, 2011
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8T0O
 | | Fab from mAb RB2AT_87 | | Descriptor: | CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain | | Authors: | Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S. | | Deposit date: | 2023-06-01 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta.
Pept Sci (Hoboken), 116, 2024
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8SVI
 | | Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVJ
 | | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8T2D
 | | Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-06-05 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVG
 | | Ubiquitin variant i53 in complex with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVH
 | | Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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3EZR
 | | CDK-2 with indazole inhibitor 17 bound at its active site | | Descriptor: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | Deposit date: | 2008-10-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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