2OJ2
 
 | | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | | Descriptor: | Hematopoetic Cell Kinase, SH3 domain, artificial peptide PD1 | | Authors: | Schmidt, H, Hoffmann, S, Tran, T, Stoldt, M, Stangler, T, Wiesehan, K, Willbold, D. | | Deposit date: | 2007-01-12 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
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2OI3
 | | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | | Descriptor: | Tyrosine-protein kinase HCK, artificial peptide PD1 | | Authors: | Schmidt, H, Stoldt, M, Hoffmann, S, Tran, T, Willbold, D. | | Deposit date: | 2007-01-10 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Hck SH3 Domain Ligand
Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
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4B4P
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF. | | Descriptor: | BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4B4Q
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group A type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4B4R
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group B type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4DCQ
 | | Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | | Deposit date: | 2012-01-18 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
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5US4
 | | Crystal structure of human KRAS G12D mutant in complex with GDP | | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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5HXB
 | | Cereblon in complex with DDB1, CC-885, and GSPT1 | | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | | Authors: | Chamberlain, P.P, Matyskiela, M, Pagarigan, B. | | Deposit date: | 2016-01-30 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
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5KAE
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5EDS
 | | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2015-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
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6B4W
 | | TTK in Complex with Inhibitor | | Descriptor: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | Authors: | Delker, S, Chamberlain, P.P. | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
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6N6O
 | | Crystal structure of the human TTK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | | Authors: | Fenalti, G. | | Deposit date: | 2018-11-26 | | Release date: | 2019-05-15 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
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5V8V
 | | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate | | Authors: | Concha, N, Zhao, B. | | Deposit date: | 2017-03-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
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5VPM
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5VRP
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6BN1
 | | Salvador Hippo SARAH domain complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, Scaffold protein salvador, ... | | Authors: | Cairns, L, Kavran, J.M. | | Deposit date: | 2017-11-15 | | Release date: | 2018-03-14 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Salvador has an extended SARAH domain that mediates binding to Hippo kinase.
J. Biol. Chem., 293, 2018
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5TIJ
 | | Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer) | | Descriptor: | ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION | | Authors: | Leonard, P.G, Muller, F.L. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
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5VT2
 | | Crystal structure of growth differentiation factor | | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2017-05-15 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
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3K48
 | | Crystal structure of APRIL bound to a peptide | | Descriptor: | Tumor necrosis factor ligand superfamily member 13, peptide | | Authors: | Hymowitz, S.G. | | Deposit date: | 2009-10-05 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Multiple novel classes of APRIL-specific receptor-blocking peptides isolated by phage display.
J.Mol.Biol., 396, 2010
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6I2U
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2B3P
 | | Crystal structure of a superfolder green fluorescent protein | | Descriptor: | ACETIC ACID, CADMIUM ION, green fluorescent protein | | Authors: | Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S. | | Deposit date: | 2005-09-20 | | Release date: | 2005-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
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2B3Q
 | | Crystal structure of a well-folded variant of green fluorescent protein | | Descriptor: | MAGNESIUM ION, green fluorescent protein | | Authors: | Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S. | | Deposit date: | 2005-09-20 | | Release date: | 2005-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
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5BTM
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4K27
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3S96
 | | Crystal structure of 3B5H10 | | Descriptor: | 3B5H10 FAB heavy chain, 3B5H10 FAB light chain | | Authors: | Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S. | | Deposit date: | 2011-05-31 | | Release date: | 2012-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
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