4WEP
 
 | | Apo YehZ from Escerichia coli | | Descriptor: | Putative osmoprotectant uptake system substrate-binding protein OsmF | | Authors: | Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M. | | Deposit date: | 2014-09-10 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
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5WKO
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5WKZ
 | | VH1-69 germline antibody predicted from CR6261 | | Descriptor: | Immunoglobulin heavy variable 1-69D,IgG H chain, Lambda-chain (AA -20 to 215), SULFATE ION | | Authors: | Lang, S, Lee, P.S. | | Deposit date: | 2017-07-25 | | Release date: | 2018-08-01 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Anti-idiotypic antibody K1-18 engages VH1-69 precursor and affinity-matured, anti-stem antibodies through mimicry of the HA stem
To Be Published
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4E9D
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4D0S
 | | Mtb InhA complex with Pyradizinone compound 14 | | Descriptor: | 1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Breed, J, Madhavapeddi, P, Lange, S. | | Deposit date: | 2014-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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4D0R
 | | Mtb InhA complex with Pyradizinone compound 1 | | Descriptor: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | | Deposit date: | 2014-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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6OBZ
 | | Crystal structure of FluA-20 Fab | | Descriptor: | Heavy chain of FluA-20 Fab, Light chain of FluA-20 Fab, Immunoglobulin light chain | | Authors: | Wilson, I.A, Lang, S. | | Deposit date: | 2019-03-21 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019
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6OCB
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6OC3
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5WL2
 | | VH1-69 germline antibody with CDR H3 sequence of CR9114 | | Descriptor: | Germline-reverted light chain of CR9114, Heavy chain of VH1-69 germline antibody with CDR H3 sequence of CR9114 | | Authors: | Wilson, I.A, Lang, S. | | Deposit date: | 2017-07-25 | | Release date: | 2018-08-01 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Anti-idiotypic antibody K1-18 engages VH1-69 precursor and affinity-matured, anti-stem antibodies through mimicry of the HA stem.
To Be Published
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2F8V
 | | Structure of full length telethonin in complex with the N-terminus of titin | | Descriptor: | N2B-Titin Isoform, SULFATE ION, Telethonin | | Authors: | Pinotsis, N, Petoukhov, M, Lange, S, Svergun, D, Zou, P, Gautel, M, Wilmanns, M. | | Deposit date: | 2005-12-04 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Evidence for a dimeric assembly of two titin/telethonin complexes induced by the telethonin C-terminus.
J.Struct.Biol., 155, 2006
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4L0J
 | | Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems | | Descriptor: | DNA helicase I, MAGNESIUM ION, SULFATE ION | | Authors: | Redzej, A, Ilangovan, A, Lang, S, Gruber, C.J, Topf, M, Zangger, K, Zechner, E.L, Waksman, G. | | Deposit date: | 2013-05-31 | | Release date: | 2013-06-19 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems.
Mol.Microbiol., 89, 2013
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2J8O
 | | Structure of the immunoglobulin tandem repeat of titin A168-A169 | | Descriptor: | GLYCEROL, TITIN | | Authors: | Mueller, S, Lange, S, Kursula, I, Gautel, M, Wilmanns, M. | | Deposit date: | 2006-10-26 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Rigid Conformation of an Immunoglobulin Domain Tandem Repeat in the A-Band of the Elastic Muscle Protein Titin
J.Mol.Biol., 371, 2007
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2J8H
 | | Structure of the immunoglobulin tandem repeat A168-A169 of titin | | Descriptor: | GLYCEROL, TITIN | | Authors: | Mueller, S, Lange, S, Kursula, I, Gautel, M, Wilmanns, M. | | Deposit date: | 2006-10-25 | | Release date: | 2007-08-21 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Rigid Conformation of an Immunoglobulin Domain Tandem Repeat in the A-Band of the Elastic Muscle Protein Titin
J.Mol.Biol., 371, 2007
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4E67
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide | | Descriptor: | Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide | | Authors: | Sledz, P, Hyvonen, M, Tan, Y.S, Lang, S, Spring, D, Abell, C, Best, R.B. | | Deposit date: | 2012-03-15 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4E9C
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | Deposit date: | 2012-03-21 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
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4AJY
 | | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | | Descriptor: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-02-21 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4AWJ
 | | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-06-04 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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2R15
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8QUX
 | | Hexameric HIV-1 CA in complex with DDD00100333 | | Descriptor: | 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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8QV1
 | | Hexameric HIV-1 CA in complex with DDD01728505 | | Descriptor: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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8QUK
 | | Hexameric HIV-1 CA in complex with DDD00100439 | | Descriptor: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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8QUB
 | | Hexameric HIV-1 CA in complex with DDD00074110 | | Descriptor: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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8QVA
 | | Hexameric HIV-1 CA in complex with DDD01829894 | | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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8QUW
 | | Hexameric HIV-1 CA in complex with DDD01044153 | | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments
Biorxiv, 2023
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