8IYW
 
 | | Structure of GSK256073-GPR109A-G-protein complex | | Descriptor: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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8JHN
 | | Structure of MMF-GPR109A-G protein complex | | Descriptor: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid, G protein subunit alpha o1,Guanine nucleotide-binding protein G(o) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-24 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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5CN4
 | | Ultrafast dynamics in myoglobin: -0.1 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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8JER
 | | Structure of Acipimox-GPR109A-G protein complex | | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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4LZS
 | | Crystal Structure of BRD4(1) bound to inhibitor XD46 | | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | | Deposit date: | 2013-08-01 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4LT7
 | | Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium | | Descriptor: | CALCIUM ION, Rabphilin-3A | | Authors: | Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5CNC
 | | Ultrafast dynamics in myoglobin: 0.6 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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3BHB
 | | Crystal Structure of KMD Phosphopeptide Bound to Human Class I MHC HLA-A2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | Deposit date: | 2007-11-28 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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8JFV
 | | Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Neetu, N, Sharma, M, Mahto, J.K, Kumar, P. | | Deposit date: | 2023-05-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
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3BIN
 | | Structure of the DAL-1 and TSLC1 (372-383) complex | | Descriptor: | Band 4.1-like protein 3, Cell adhesion molecule 1 | | Authors: | Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Persson, C, Hallberg, B.M. | | Deposit date: | 2007-11-30 | | Release date: | 2008-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B)
J.Biol.Chem., 286, 2011
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3BH8
 | | Crystal Structure of RQA_M Phosphopeptide Bound to HUMAN Class I MHC HLA-A2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | Deposit date: | 2007-11-28 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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4MHA
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
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7Y4P
 | | Human Plexin A1, extracellular domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1 | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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1V8X
 | | Crystal Structure of the Dioxygen-bound Heme Oxygenase from Corynebacterium diphtheriae | | Descriptor: | Heme oxygenase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Unno, M, Matsui, T, Chu, G.C, Couture, M, Yoshida, T, Rousseau, D.L, Olson, J.S, Ikeda-Saito, M. | | Deposit date: | 2004-01-15 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Dioxygen-bound Heme Oxygenase from Corynebacterium diphtheriae: IMPLICATIONS FOR HEME OXYGENASE FUNCTION.
J.Biol.Chem., 279, 2004
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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8JFF
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4ML3
 | | X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae | | Descriptor: | Response regulator | | Authors: | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | | Deposit date: | 2013-09-06 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
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7Y4O
 | | Rat Semaphorin 6D extracellular region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin 6D | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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4MNB
 | | Crystal Structure of a complex between the marine anticancer drug Variolin B and DNA | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, COBALT (II) ION, ... | | Authors: | Canals, A, Arribas-Bosacoma, R, Alvarez, M, Albericio, F, Aymami, J, Coll, M. | | Deposit date: | 2013-09-10 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Intercalative DNA binding of the marine anticancer drug variolin B.
Sci Rep, 7, 2017
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7Y4Q
 | | Semaphorin 6D in complex with Plexin A1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, ... | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-16 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4.7 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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6U6Q
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3T15
 | | Structure of green-type Rubisco activase from tobacco | | Descriptor: | Ribulose bisphosphate carboxylase/oxygenase activase 1, chloroplastic | | Authors: | Stotz, M, Wendler, P, Mueller-Cajar, O, Hartl, F.U, Bracher, A, Hayer-Hartl, M. | | Deposit date: | 2011-07-21 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of green-type Rubisco activase from tobacco.
Nat.Struct.Mol.Biol., 18, 2011
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3BF2
 | | Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR36a | | Descriptor: | Putative lipoprotein | | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Cunningham, K, Maglaqui, M, Owens, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-20 | | Release date: | 2007-12-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis.
To be Published
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3BFU
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution | | Descriptor: | (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2 | | Authors: | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2007-11-23 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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3BGM
 | | Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | Deposit date: | 2007-11-27 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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