1KI3
 
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | | Descriptor: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1998-05-15 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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1ZEG
 | | STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL | | Descriptor: | CHLORIDE ION, INSULIN, PHENOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-05-01 | | Release date: | 1998-07-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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4CSB
 | | Structure of the Virulence-Associated Protein VapD from the intracellular pathogen Rhodococcus equi. | | Descriptor: | VIRULENCE ASSOCIATED PROTEIN VAPD, octyl beta-D-glucopyranoside | | Authors: | Whittingham, J.L, Blagova, E.V, Finn, C.E, Luo, H, Miranda-CasoLuengo, R, Turkenburg, J.P, Leech, A.P, Walton, P.H, Meijers, W.G, Wilkinson, A.J. | | Deposit date: | 2014-03-06 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Virulence-Associated Protein Vapd from the Intracellular Pathogen Rhodococcus Equi.
Acta Crystallogr.,Sect.D, 70, 2014
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4MXW
 | | Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab | | Descriptor: | Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ... | | Authors: | Sudhamsu, J, Yin, J.P, Hymowitz, S.G. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1BUY
 | | HUMAN ERYTHROPOIETIN, NMR MINIMIZED AVERAGE STRUCTURE | | Descriptor: | PROTEIN (ERYTHROPOIETIN) | | Authors: | Cheetham, J.C, Smith, D.M, Aoki, K.H, Stevenson, J.L, Hoeffel, T.J, Syed, R.S, Egrie, J, Harvey, T.S. | | Deposit date: | 1998-09-08 | | Release date: | 1999-09-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of human erythropoietin and a comparison with its receptor bound conformation.
Nat.Struct.Biol., 5, 1998
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4MNE
 | | Crystal structure of the BRAF:MEK1 complex | | Descriptor: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | Deposit date: | 2013-09-10 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8483 Å) | | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
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4MNF
 | | Crystal structure of BRAF-V600E bound to GDC0879 | | Descriptor: | 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | Deposit date: | 2013-09-10 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
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4IVH
 | | Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template | | Descriptor: | SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)] | | Authors: | Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structures of beta-Amyloid Peptide Oligomers
J.Am.Chem.Soc., 2013
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1BMF
 | | BOVINE MITOCHONDRIAL F1-ATPASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, MAGNESIUM ION, ... | | Authors: | Abrahams, J.P, Leslie, A.G.W, Lutter, R, Walker, J.E. | | Deposit date: | 1996-03-13 | | Release date: | 1996-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure at 2.8 A resolution of F1-ATPase from bovine heart mitochondria.
Nature, 370, 1994
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4O65
 | | Crystal structure of the cupredoxin domain of amoB from Nitrosocaldus yellowstonii | | Descriptor: | COPPER (II) ION, Putative archaeal ammonia monooxygenase subunit B, SULFATE ION | | Authors: | Lawton, T.J, Ham, J, Sun, T, Rosenzweig, A.C. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Structural conservation of the B subunit in the ammonia monooxygenase/particulate methane monooxygenase superfamily.
Proteins, 82, 2014
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4UC0
 | | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis | | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | | Authors: | Cameron, S.A, Sampathkumar, P, Ramagopal, U.A, Attonito, J, Ahmed, M, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-08-13 | | Release date: | 2014-10-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
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4KDW
 | | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | | Descriptor: | Antifreeze protein, CALCIUM ION, GLYCEROL | | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin.
Febs J., 280, 2013
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4KTO
 | | Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase | | Authors: | Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-05-20 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021
to be published
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2BXT
 | | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | | Descriptor: | 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN VARIANT-2 | | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | | Deposit date: | 2005-07-27 | | Release date: | 2006-10-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
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4WJI
 | | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-30 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP
to be published
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7NM5
 | | Solution structure of MLKL executioner domain in complex with a fragment | | Descriptor: | 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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7NM2
 | | Solution structure of MLKL executioner domain in complex with a fragment | | Descriptor: | 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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7NM4
 | | Solution structure of MLKL executioner domain in complex with a fragment | | Descriptor: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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7O1Q
 | | Amyloid beta oligomer displayed on the alpha hemolysin scaffold | | Descriptor: | Alpha-hemolysin hybridized Abeta | | Authors: | Wu, J, Blum, T.B, Farrell, D.P, DiMaio, F, Abrahams, J.P, Luo, J. | | Deposit date: | 2021-03-30 | | Release date: | 2021-04-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-electron Microscopy Imaging of Alzheimer's Amyloid-beta 42 Oligomer Displayed on a Functionally and Structurally Relevant Scaffold.
Angew.Chem.Int.Ed.Engl., 60, 2021
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2ROE
 | | Solution structure of thermus thermophilus HB8 TTHA1718 protein in vitro | | Descriptor: | Heavy metal binding protein | | Authors: | Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y. | | Deposit date: | 2008-03-20 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Protein structure determination in living cells by in-cell NMR spectroscopy
Nature, 458, 2009
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4WED
 | | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti | | Descriptor: | ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ... | | Authors: | Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
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2C52
 | | Structural diversity in CBP p160 complexes | | Descriptor: | CREB-BINDING PROTEIN, NUCLEAR RECEPTOR COACTIVATOR 1 | | Authors: | Waters, L.C, Yue, B, Veverka, V, Renshaw, P.S, Bramham, J, Matsuda, S, Frenkiel, T, Kelly, G, Muskett, F.W, Carr, M.D, Heery, D.M. | | Deposit date: | 2005-10-25 | | Release date: | 2006-03-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural diversity in p160/CREB-binding protein coactivator complexes.
J. Biol. Chem., 281, 2006
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7SD1
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7SD0
 | | Cryo-EM structure of the SHOC2:PP1C:MRAS complex | | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2021-09-29 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
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7SI1
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