5OFH
 
 | | Cu nitrite reductase serial data at varying temperatures RT 0.15MGy | | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
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1HDE
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6D03
 | | Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; one molecule of parasite ligand. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(2-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H. | | Deposit date: | 2018-04-10 | | Release date: | 2018-06-20 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
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4ELE
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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4ELG
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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3BZ5
 | | Functional domain of InlJ from Listeria monocytogenes includes a cysteine ladder | | Descriptor: | CHLORIDE ION, Internalin-J, SULFATE ION | | Authors: | Bublitz, M, Holland, C, Sabet, C, Reichelt, J, Cossart, P, Heinz, D.W, Bierne, H, Schubert, W.D. | | Deposit date: | 2008-01-17 | | Release date: | 2008-06-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure and standardized geometric analysis of InlJ, a listerial virulence factor and leucine-rich repeat protein with a novel cysteine ladder.
J.Mol.Biol., 378, 2008
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2CAX
 | | STRUCTURAL BASIS FOR COOPERATIVE BINDING OF RIBBON-HELIX-HELIX REPRESSOR OMEGA TO MUTATED DIRECT DNA HEPTAD REPEATS | | Descriptor: | 5'-D(*CP*TP*TP*GP*TP*GP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*CP*AP*CP*AP*AP*GP*C)-3', ... | | Authors: | Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W. | | Deposit date: | 2005-12-23 | | Release date: | 2006-03-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
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1R8H
 | | Comparison of the structure and DNA binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus | | Descriptor: | PHOSPHATE ION, Regulatory protein E2 | | Authors: | Dell, G, Wilkinson, K.W, Tranter, R, Parish, J, Brady, R.L, Gaston, K. | | Deposit date: | 2003-10-24 | | Release date: | 2003-12-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparison of the structure and DNA-binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus.
J.Mol.Biol., 334, 2003
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5JI4
 | | Solution structure of the de novo mini protein gEEHE_02 | | Descriptor: | W37 | | Authors: | Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T. | | Deposit date: | 2016-04-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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5OF5
 | | Cu nitrite reductase serial data at varying temperatures | | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | | Deposit date: | 2017-07-10 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
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5OFC
 | | Cu nitrite reductase serial data at varying temperatures 190K 21.65MGy | | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | | Deposit date: | 2017-07-10 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
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5JHI
 | | Solution structure of the de novo mini protein gEHE_06 | | Descriptor: | W35 | | Authors: | Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T. | | Deposit date: | 2016-04-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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3BWM
 | | Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC | | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | | Deposit date: | 2008-01-09 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase.
J.Mol.Biol., 380, 2008
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8DPU
 | | The crystal structure of the IL-11 signalling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | | Authors: | Metcalfe, R.D, Aizel, K, Griffin, M.D.W. | | Deposit date: | 2022-07-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.78 Å) | | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant.
Nat Commun, 14, 2023
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8DPT
 | | The structure of the IL-11 signalling complex, with full-length extracellular gp130 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | | Authors: | Metcalfe, R.D, Hanssen, E, Griffin, M.D.W. | | Deposit date: | 2022-07-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant.
Nat Commun, 14, 2023
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1UV6
 | | X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine | | Descriptor: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, ACETYLCHOLINE-BINDING PROTEIN | | Authors: | Celie, P.H.N, Van Rossum-fikkert, S.E, Van Dijk, W.J, Brejc, K, Smit, A.B, Sixma, T.K. | | Deposit date: | 2004-01-15 | | Release date: | 2004-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nicotine and Carbamylcholine Binding to Nicotinic Acetylcholine Receptors as Studied in Achbp Crystal Structures
Neuron, 41, 2004
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4ZM5
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | | Descriptor: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
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1V51
 | | The functional role of the binuclear metal center in D-aminoacylase. One-metal activation and second-metal attenuation | | Descriptor: | ACETATE ION, D-aminoacylase, ZINC ION | | Authors: | Lai, W.L, Chou, L.Y, Ting, C.Y, Tsai, Y.C, Liaw, S.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-04-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation.
J.Biol.Chem., 279, 2004
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4ZA1
 | | Crystal Structure of NosA Involved in Nosiheptide Biosynthesis | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA | | Authors: | Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C. | | Deposit date: | 2015-04-13 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis
Sci Rep, 5, 2015
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2CN5
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5KJ0
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | | Deposit date: | 2016-06-17 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET.
ChemMedChem, 11, 2016
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5ED9
 | | Crystal structure of CC1 of mouse SUN2 | | Descriptor: | SUN domain-containing protein 2 | | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
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2CI9
 | | Nck1 SH2-domain in complex with a dodecaphosphopeptide from EPEC protein Tir | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, TRANSLOCATED INTIMIN RECEPTOR | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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3C7Q
 | | Structure of VEGFR2 kinase domain in complex with BIBF1120 | | Descriptor: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | | Authors: | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | | Deposit date: | 2008-02-08 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
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1UX2
 | | X-ray structure of acetylcholine binding protein (AChBP) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYLCHOLINE BINDING PROTEIN, ... | | Authors: | Celie, P.H.N, Van Rossum-fikkert, S.E, Van Dijk, W.J, Brejc, K, Smit, A.B, Sixma, T.K. | | Deposit date: | 2004-02-18 | | Release date: | 2004-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Nicotine and Carbamylcholine Binding to Nicotinic Acetylcholine Receptors as Studied in Achbp Crystal Structures
Neuron, 41, 2004
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