6GCR
 
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | Descriptor: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | Deposit date: | 2018-04-19 | | Release date: | 2019-05-01 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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5VIF
 | | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | | Deposit date: | 2017-04-15 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
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3DL7
 | | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-02 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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3PFT
 | | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin reductase | | Authors: | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure
To be Published
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3DL4
 | | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-02 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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4BBQ
 | | Crystal structure of the CXXC and PHD domain of Human Lysine-specific Demethylase 2A (KDM2A)(FBXL11) | | Descriptor: | 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 2A, ZINC ION | | Authors: | Allerston, C.K, Watson, A.A, Edlich, C, Li, B, Chen, Y, Ball, L, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Laue, E.D, Gileadi, O. | | Deposit date: | 2012-09-27 | | Release date: | 2012-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of the Cxxc and Phd Domain of Human Lysine-Specific Demethylase 2A (Kdm2A)(Fbxl11)
To be Published
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1CZ8
 | | VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH AN AFFINITY MATURED ANTIBODY | | Descriptor: | HEAVY CHAIN OF NEUTRALIZING ANTIBODY, LIGHT CHAIN OF NEUTRALIZING ANTIBODY, SULFATE ION, ... | | Authors: | Chen, Y, Wiesmann, C, Fuh, G, Li, B, Christinger, H.W, McKay, P, de Vos, A.M, Lowman, H.B. | | Deposit date: | 1999-09-01 | | Release date: | 2000-03-20 | | Last modified: | 2017-04-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Selection and analysis of an optimized anti-VEGF antibody: crystal structure of an affinity-matured Fab in complex with antigen.
J.Mol.Biol., 293, 1999
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6UFR
 | | Structure of recombinantly assembled E46K alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L. | | Deposit date: | 2019-09-24 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PES
 | | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | | Descriptor: | Alpha-synuclein | | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | Deposit date: | 2019-06-20 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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2MUS
 | | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | | Deposit date: | 2014-09-16 | | Release date: | 2017-02-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
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1RWE
 | | Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Wan, Z, Xu, B, Chu, Y.C, Li, B, Nakagawa, S.H, Qu, Y, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2003-12-16 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues.
Biochemistry, 43, 2004
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1KAT
 | | Solution Structure of a Phage-Derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor | | Descriptor: | Phage-Derived Peptide Antagonist, Vascular Endothelial Growth Factor | | Authors: | Pan, B, Li, B, Russell, S.J, Tom, J.Y.K, Cochran, A.G, Fairbrother, W.J. | | Deposit date: | 2001-11-02 | | Release date: | 2002-11-02 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Phage-derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor
J.Mol.Biol., 316, 2002
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7F59
 | | DNQX-bound GluK2-1xNeto2 complex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2021-09-29 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Kainate receptor modulation by NETO2.
Nature, 599, 2021
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7F56
 | | DNQX-bound GluK2-1xNeto2 complex, with asymmetric LBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2021-09-29 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Kainate receptor modulation by NETO2.
Nature, 599, 2021
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7F57
 | | Kainate-bound GluK2-1xNeto2 complex, at the desensitized state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2021-09-29 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Kainate receptor modulation by NETO2.
Nature, 599, 2021
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7F5B
 | | LBD-TMD focused reconstruction of DNQX-bound GluK2-1xNeto2 complex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2021-09-29 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Kainate receptor modulation by NETO2.
Nature, 599, 2021
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7F5A
 | | DNQX-bound GluK2-2xNeto2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2021-09-29 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Kainate receptor modulation by NETO2.
Nature, 599, 2021
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6PEO
 | | Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | | Descriptor: | Alpha-synuclein | | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | Deposit date: | 2019-06-20 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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5HKP
 | | Crystal structure of mouse Tankyrase/human TRF1 complex | | Descriptor: | Tankyrase-1, Telomeric repeat-binding factor 1 | | Authors: | Wang, Z, Li, B, Rao, Z, Xu, W. | | Deposit date: | 2016-01-14 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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1DNM
 | | CRYSTAL STRUCTURE AND SEQUENCE-DEPENDENT CONFORMATION OF THE A.G MIS-PAIRED OLIGONUCLEOTIDE D(CGCAAGCTGGCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*GP*CP*TP*GP*GP*CP*G)-3') | | Authors: | Webster, G.D, Sanderson, M.R, Skelly, J.V, Neidle, S, Swann, P.F, Li, B.F, Tickle, I.J. | | Deposit date: | 1990-06-22 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG).
Proc.Natl.Acad.Sci.USA, 87, 1990
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2C0T
 | | Src family kinase Hck with bound inhibitor A-641359 | | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-07 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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2C0I
 | | Src family kinase Hck with bound inhibitor A-420983 | | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-03 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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2C0O
 | | Src family kinase Hck with bound inhibitor A-770041 | | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-06 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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5I9J
 | | Structure of the cholesterol and lutein-binding domain of human STARD3 at 1.74A | | Descriptor: | 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, SULFATE ION, ... | | Authors: | Horvath, M.P, Bernstein, P.S, Li, B, George, E.W, Tran, Q.T. | | Deposit date: | 2016-02-20 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure of the lutein-binding domain of human StARD3 at 1.74 angstrom resolution and model of a complex with lutein.
Acta Crystallogr.,Sect.F, 72, 2016
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5H5P
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