6AJA
 
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADPH, alpha-ketoglutarate and ca2+ | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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1WMO
 | | Crystal structure of topaquinone-containing amine oxidase activated by nickel ion | | Descriptor: | NICKEL (II) ION, Phenylethylamine oxidase | | Authors: | Okajima, T, Kishishita, S, Chiu, Y.C, Murakawa, T, Kim, M, Yamaguchi, H, Hirota, S, Kuroda, S, Tanizawa, K. | | Deposit date: | 2004-07-13 | | Release date: | 2005-08-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reinvestigation of metal ion specificity for quinone cofactor biogenesis in bacterial copper amine oxidase
Biochemistry, 44, 2005
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5ORJ
 | | The crystal structure of CK2alpha in complex with compound 3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-16 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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6AK1
 | | Crystal structure of DmoA from Hyphomicrobium sulfonivorans | | Descriptor: | Dimethyl-sulfide monooxygenase | | Authors: | Cao, H.Y, Wang, P, Peng, M, Li, C.Y. | | Deposit date: | 2018-08-28 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | Crystal structure of the dimethylsulfide monooxygenase DmoA from Hyphomicrobium sulfonivorans.
Acta Crystallogr.,Sect.F, 74, 2018
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6AKO
 | | Crystal Structure of FOXC2 DBD Bound to DBE2 DNA | | Descriptor: | DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ... | | Authors: | Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y. | | Deposit date: | 2018-09-03 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
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2LBV
 | | Siderocalin Q83 reveals a dual ligand binding mode | | Descriptor: | ARACHIDONIC ACID, Extracellular fatty acid-binding protein, GALLIUM (III) ION, ... | | Authors: | Coudevylle, N, Hoetzinger, M, Geist, L, Kontaxis, G, Bister, K, Konrat, R. | | Deposit date: | 2011-04-07 | | Release date: | 2012-02-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Biochemistry, 50, 2011
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5OTP
 | | The crystal structure of CK2alpha in complex with an analogue of compound 22 | | Descriptor: | 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5ZVR
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5ZWE
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a vinyl ketone group via conjugate addition reaction | | Descriptor: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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5OTH
 | | The crystal structure of CK2alpha in complex with compound 26 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OTR
 | | The crystal structure of CK2alpha in complex with compound 14 | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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2LDE
 | | Solution structure of the long sarafotoxin srtx-i3 | | Descriptor: | Sarafotoxin-i3 | | Authors: | Cordier, F, Zorba, A, Hajj, M, Ducancel, F, Servent, D, Delepierre, M. | | Deposit date: | 2011-05-24 | | Release date: | 2011-09-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Pharmacological and structural characterization of long-sarafotoxins, a new family of endothelin-like peptides: Role of the C-terminus extension.
Biochimie, 94, 2012
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5ZUJ
 | | Binding and Enhanced Binding between Key Immunity Proteins TRAF6 and TIFA | | Descriptor: | TNF receptor-associated factor 6, peptide 170-184 from TRAF-interacting protein with FHA domain-containing protein A | | Authors: | Huang, W.C, Maestre-Reyna, M, Hsiao, T.C, Tsai, M.D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding and Enhanced Binding between Key Immunity Proteins TRAF6 and TIFA.
Chembiochem, 20, 2019
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5ZYP
 | | Structure of the Yeast Ctr9/Paf1 complex | | Descriptor: | NICKEL (II) ION, RNA polymerase-associated protein CTR9,RNA polymerase II-associated protein 1 | | Authors: | Xie, Y, Zheng, M, Zhou, H, Long, J. | | Deposit date: | 2018-05-28 | | Release date: | 2018-09-26 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.532 Å) | | Cite: | Paf1 and Ctr9 subcomplex formation is essential for Paf1 complex assembly and functional regulation.
Nat Commun, 9, 2018
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5ZUY
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5ZZ9
 | | Crystal structure of Homer2 EVH1/Drebrin PPXXF complex | | Descriptor: | Homer protein homolog 2, Peptide from Drebrin | | Authors: | Li, Z, Liu, H, Li, J, Liu, W, Zhang, M. | | Deposit date: | 2018-05-31 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
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3LI6
 | | Crystal structure and trimer-monomer transition of N-terminal domain of EhCaBP1 from Entamoeba histolytica | | Descriptor: | CALCIUM ION, Calcium-binding protein | | Authors: | Kumar, S, Ahmad, E, Kumar, S, Mansuri, M.S, Khan, R.H, Samudrala, G. | | Deposit date: | 2010-01-24 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Crystal structure and trimer-monomer transition of N-terminal domain of EhCaBP1 from Entamoeba histolytica
Biophys.J., 98, 2010
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3LPB
 | | Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | | Descriptor: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | | Deposit date: | 2010-02-05 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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6AB9
 | | The crystal structure of the relaxed state of Nonlabens marinus Rhodopsin 3 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.-H, Ohki, M, Park, J.-H, Jin, Z, Lee, W, Liu, H, Tame, J.R.H, Shibayama, N, Park, S.-Y. | | Deposit date: | 2018-07-20 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The pumping mechanism of NM-R3, a light-driven cyanobacterial chloride importer in the rhodopsin family
To Be Published
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6EKA
 | | Solid-state MAS NMR structure of the HELLF prion amyloid fibrils | | Descriptor: | Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2 | | Authors: | Martinez, D, Daskalov, A, Andreas, L, Bardiaux, B, Coustou, V, Stanek, J, Berbon, M, Noubhani, M, Kauffmann, B, Wall, J.S, Pintacuda, G, Saupe, S.J, Habenstein, B, Loquet, A. | | Deposit date: | 2017-09-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Structural and molecular basis of cross-seeding barriers in amyloids
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ABM
 | | Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pTmdZLys | | Descriptor: | (2S)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yanagisawa, T, Kuratani, M, Yokoyama, S. | | Deposit date: | 2018-07-22 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.368 Å) | | Cite: | Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
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5DWR
 | | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | | Descriptor: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | | Deposit date: | 2015-09-22 | | Release date: | 2015-11-11 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
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6ADE
 | | Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Dilawari, R, Singh, P.K, Raje, M, Sharma, S, Singh, T.P. | | Deposit date: | 2018-07-31 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution
To Be Published
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2LPJ
 | | NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2 | | Descriptor: | Major ampullate spidroin 1 | | Authors: | Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S.D, Johansson, J. | | Deposit date: | 2012-02-14 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | pH-Dependent Dimerization of Spider Silk N-Terminal Domain Requires Relocation of a Wedged Tryptophan Side Chain.
J.Mol.Biol., 422, 2012
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2LEE
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