PDB: 37044 resultsInfo pagesStatus searchChemie searchBIRD

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7C7I	Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E) Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Xiao, L.X, Pan, L.F. Deposit date: 2020-05-25 Release date: 2021-05-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3. Chin.J.Chem., 38, 2020
7CHT	Crystal structure of TTK kinase domain in complex with compound 30 Descriptor: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. Deposit date: 2020-07-06 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
3MYM	Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin Descriptor: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F. Deposit date: 2010-05-10 Release date: 2011-04-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
7CHM	Crystal structure of TTK kinase domain in complex with compound 8 Descriptor: 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. Deposit date: 2020-07-06 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.65 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
7CHN	Crystal structure of TTK kinase domain in complex with compound 9 Descriptor: 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. Deposit date: 2020-07-06 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.4 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
7C41	KRAS G12V and H-REV107 peptide complex Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, HRAS-like suppressor 3, ... Authors: Han, C.W, Jeong, M.S, Jang, S.B. Deposit date: 2020-05-14 Release date: 2021-05-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.276 Å) Cite: A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel), 12, 2020
7CLH	Crystal structure of TTK kinase domain in complex with compound 19 Descriptor: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. Deposit date: 2020-07-21 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.9 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
2MP3	Truncated L126Z-sod1 in DPC micelle Descriptor: Superoxide dismutase [Cu-Zn] Authors: Lim, L, Song, J. Deposit date: 2014-05-10 Release date: 2015-05-20 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Mechanism for transforming cytosolic SOD1 into integral membrane proteins of organelles by ALS-causing mutations Biochim.Biophys.Acta, 1848, 2015
7CJA	Crystal structure of TTK kinase domain in complex with compound 28 Descriptor: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. Deposit date: 2020-07-09 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.49 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
2MVD	Solution structure of [GlnB22]-insulin mutant at pH 1.9 Descriptor: Insulin A chain, Insulin B chain Authors: Hexnerova, R, Krizkova, K, Maletinska, L, Jiracek, J, Brzozowski, A.M, Zakova, L, Veverka, V. Deposit date: 2014-10-02 Release date: 2014-12-10 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structural and Functional Study of the GlnB22-Insulin Mutant Responsible for Maturity-Onset Diabetes of the Young. Plos One, 9, 2014
7CIL	Crystal structure of TTK kinase domain in complex with compound 7 Descriptor: 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK Authors: Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. Deposit date: 2020-07-07 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
2MW8	Solution structure of SATB1 homeodomain Descriptor: DNA-binding protein SATB1 Authors: Yamasaki, K, Yamasaki, T. Deposit date: 2014-10-31 Release date: 2015-11-04 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution structure of SATB1 homeodomain To be Published
7C40	MgGDP bound KRAS G12V Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Han, C.W, Jeong, M.S, Jang, S.B. Deposit date: 2020-05-14 Release date: 2021-05-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.516 Å) Cite: A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel), 12, 2020
2N7C	Solution structure of Plasmodium falciparum SR1-RRM1 in complex with ACAUCA RNA Descriptor: RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3'), putative splicing factor Authors: Ganguly, A.K, Verma, G, Bhavesh, N.S. Deposit date: 2015-09-08 Release date: 2016-10-12 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition. J. Mol. Biol., 431, 2019
2NA0	NMR structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) mutant V77E in a Ca2+-free/Mg2+-bound Activator State Descriptor: Guanylyl cyclase-activating protein 1 Authors: Lim, S, Ames, J.B. Deposit date: 2015-12-16 Release date: 2015-12-30 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) Mutant V77E in a Ca2+-free/Mg2+-bound Activator State. J.Biol.Chem., 291, 2016
2MSK	Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C (NtrC) at 35C Descriptor: Nitrogen regulation protein NR(I) Authors: Clarkson, M.W, Pontiggia, F, Villali, J, Kern, D. Deposit date: 2014-08-04 Release date: 2015-07-01 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Free energy landscape of activation in a signalling protein at atomic resolution. Nat Commun, 6, 2015
7CJV	Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a dilute environment Descriptor: Monomeric Human Cu,Zn Superoxide dismutase Authors: Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. Deposit date: 2020-07-14 Release date: 2021-05-26 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
2MSY	Solution structure of Hox homeodomain Descriptor: Homeobox protein Hox-C9 Authors: Kim, H, Park, S, Han, J, Lee, B. Deposit date: 2014-08-11 Release date: 2015-09-16 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding. Biochim.Biophys.Acta, 1854, 2015
3MXE	Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... Authors: Nalam, M.N.L, Schiffer, C.A. Deposit date: 2010-05-07 Release date: 2010-11-10 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
2N5B	Structures of the OXIDIZED state of the mutant D24A of yeast thioredoxin 1 Descriptor: Thioredoxin-1 Authors: Iqbal, A, Moraes, A.H, Valente, A.P, Almeida, F.C.L. Deposit date: 2015-07-13 Release date: 2015-10-28 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity. J.Biomol.Nmr, 63, 2015
3MYY	Structure of E. Coli CheY mutant A113P bound to Beryllium fluoride Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ... Authors: Immormino, R.M, McDonald, L.R, Bourret, R.B. Deposit date: 2010-05-11 Release date: 2011-05-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Activation of CheY by Mutation at an allosteric site To be Published
2N46	EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data Descriptor: GTPase HRas Authors: Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) Deposit date: 2015-06-17 Release date: 2015-07-01 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Protein structure determination by combining sparse NMR data with evolutionary couplings. Nat.Methods, 12, 2015
3N84	Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ... Authors: Clements, J.H, Martin, S.F. Deposit date: 2010-05-27 Release date: 2011-01-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions. ACS MED.CHEM.LETT., 1, 2010
2N3J	Solution Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1 Descriptor: Heat shock protein beta-1 Authors: Rajagopal, P, Liu, Y, Shi, L, Klevit, R.E. Deposit date: 2015-06-03 Release date: 2015-08-19 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1. J.Biomol.Nmr, 63, 2015
7F94	Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel with two conformationally different hemichannels Descriptor: A C-terminal deletion mutant of gap junction alpha-1 protein (Cx43-M257) Authors: Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. Deposit date: 2021-07-03 Release date: 2022-07-06 Last modified: 2023-05-03 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023

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