6OHE
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6OCU
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7YJ4
| Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-19 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YK6
| Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, 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: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YK7
| Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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6X5U
| Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and NM5M2-Asn | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases. J.Biol.Chem., 295, 2020
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6X5H
| Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP | Descriptor: | 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases. J.Biol.Chem., 295, 2020
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6O1A
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6Y1Y
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2I8L
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6X5T
| Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3-Asn | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases. J.Biol.Chem., 295, 2020
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4IWD
| Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog | Descriptor: | 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor | Authors: | Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T. | Deposit date: | 2013-01-23 | Release date: | 2013-12-11 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met. J.Med.Chem., 56, 2013
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7W9N
| THE STRUCTURE OF OBA33-OTA COMPLEX | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER) | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2021-12-10 | Release date: | 2022-01-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer. J.Am.Chem.Soc., 144, 2022
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3CVB
| Regulation of Protein Function: Crystal Packing Interfaces and Conformational Dimerization | Descriptor: | COPPER (I) ION, Plastocyanin | Authors: | Crowley, P.B, Matias, P.M, Mi, H, Firbank, S.J, Banfield, M.J, Dennison, C. | Deposit date: | 2008-04-18 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of protein function: crystal packing interfaces and conformational dimerization. Biochemistry, 47, 2008
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3CVC
| Regulation of Protein Function: Crystal Packing Interfaces and Conformational Dimerization | Descriptor: | COPPER (II) ION, MAGNESIUM ION, Plastocyanin | Authors: | Crowley, P.B, Matias, P.M, Mi, H, Firbank, S.J, Banfield, M.J, Dennison, C. | Deposit date: | 2008-04-18 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Regulation of protein function: crystal packing interfaces and conformational dimerization. Biochemistry, 47, 2008
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8XJJ
| Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | Authors: | Ren, X. | Deposit date: | 2023-12-21 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers. Mol.Cancer Ther., 2024
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8WSP
| Crystal structure of SFTSV Gn and antibody SF5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSU
| Crystal structure of SFTSV Gc and antibody | Descriptor: | Ab-H, Ab-L, Glycoprotein C | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WQW
| Cryo-EM structure of bsAb3 Fab-Gn-Gc complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein C, Glycoprotein N, ... | Authors: | Wu, Y, Sun, J.Q. | Deposit date: | 2023-10-12 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSN
| Crystal structure of SFTSV Gn and antibody SF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab1-H, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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2I4G
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment) | Descriptor: | CHLORIDE ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-21 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I5X
| Engineering the PTPbeta catalytic domain with improved crystallization properties | Descriptor: | (4-ETHYLPHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Klopfenstein, S. | Deposit date: | 2006-08-26 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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6E58
| Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) | Descriptor: | CALCIUM ION, Secreted Endo-beta-N-acetylglucosaminidase (EndoS) | Authors: | Klontz, E.H, Trastoy, B, Gunther, S, Guerin, M.E, Sundberg, E.J. | Deposit date: | 2018-07-19 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2. ACS Cent Sci, 5, 2019
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1KHX
| Crystal structure of a phosphorylated Smad2 | Descriptor: | Smad2 | Authors: | Wu, J.-W, Hu, M, Chai, J, Seoane, J, Huse, M, Kyin, S, Muir, T.W, Fairman, R, Massague, J, Shi, Y. | Deposit date: | 2001-12-01 | Release date: | 2002-02-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a phosphorylated Smad2. Recognition of phosphoserine by the MH2 domain and insights on Smad function in TGF-beta signaling. Mol.Cell, 8, 2001
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1H9U
| The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268 | Descriptor: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Schwabe, J.W.R, Love, J.D, Gooch, J.T. | Deposit date: | 2001-03-21 | Release date: | 2002-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structural Basis for the Specificity of Retinoid-X Receptor-Selective Agonists: New Insights Into the Role of Helix H12 J.Biol.Chem., 277, 2002
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