7KFW
 
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of antibody C1A-B3 Fab, ... | | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | | Deposit date: | 2020-10-15 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.792 Å) | | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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6GJP
 | | Cyclophilin A complexed with tri-vector ligand 7. | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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7KP9
 | | asymmetric hTNF-alpha | | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | | Authors: | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | | Deposit date: | 2020-11-10 | | Release date: | 2021-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
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3SXS
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7KFX
 | | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | | Deposit date: | 2020-10-15 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
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4JCV
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2GV0
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4JV7
 | | Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one | | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JVR
 | | Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | | Descriptor: | (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-26 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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5TR6
 | | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | | Descriptor: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
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4JBB
 | | Crystal structure of Glutathione S-transferase A6TBY7(Target EFI-507184) from Klebsiella pneumoniae MGH 78578, GSH complex | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLUTATHIONE, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of Glutathione S-Transferase A6Tby7 (Target Efi-507184) from Klebsiella Pneumoniae
To be Published
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1CMI
 | | STRUCTURE OF THE HUMAN PIN/LC8 DIMER WITH A BOUND PEPTIDE | | Descriptor: | Dynein light chain 1, cytoplasmic, Nitric oxide synthase 1 | | Authors: | Liang, J, Guo, W, Jaffery, S, Snyder, S, Clardy, J. | | Deposit date: | 1999-05-06 | | Release date: | 2000-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the PIN/LC8 dimer with a bound peptide.
Nat.Struct.Biol., 6, 1999
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4JGZ
 | | Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222) | | Descriptor: | Polyprotein, capsid protein VP1, capsid protein VP2, ... | | Authors: | Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
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4JTX
 | | Crystal structure of 2009 pandemic influenza virus hemagglutinin mutant D225E | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-03-24 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013
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4JUU
 | | Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand | | Descriptor: | CHLORIDE ION, Epimerase, PHOSPHATE ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-03-25 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand
To be Published
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1VA6
 | | Crystal structure of Gamma-glutamylcysteine synthetase from Escherichia Coli B complexed with Transition-state analogue | | Descriptor: | (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, Glutamate--cysteine ligase, ... | | Authors: | Hibi, T, Nii, H, Nakatsu, T, Kato, H, Hiratake, J, Oda, J. | | Deposit date: | 2004-02-12 | | Release date: | 2004-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of gamma-glutamylcysteine synthetase: insights into the mechanism of catalysis by a key enzyme for glutathione homeostasis
PROC.NATL.ACAD.SCI.USA, 101, 2004
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4BMJ
 | | Structure of the UBZ1and2 tandem of the ubiquitin-binding adaptor protein TAX1BP1 | | Descriptor: | CHLORIDE ION, TAX1-BINDING PROTEIN 1, ZINC ION | | Authors: | Ceregido, M.A, Spinola-Amilibia, M, Buts, L, Rivera, J, Bravo, J, van Nuland, N.A.J. | | Deposit date: | 2013-05-09 | | Release date: | 2013-11-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Structure of Tax1BP1 Ubz1 + 2 Provides Insight Into Target Specificity and Adaptability
J.Mol.Biol., 426, 2014
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7LHT
 | | Structure of the LRRK2 dimer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
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7LHW
 | | Structure of the LRRK2 monomer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
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7LI3
 | | Structure of the LRRK2 G2019S mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
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3BQR
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand | | Descriptor: | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid, Death-associated protein kinase 3, GLYCEROL, ... | | Authors: | Filippakopoulos, P, Rellos, P, Fedorov, O, Niesen, F, Pike, A.C.W, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-20 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Human Death Associated Protein Kinase 3 (DAPK3) in Complex with an Imidazo-Pyridazine Ligand.
To be Published
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7LI4
 | | Structure of LRRK2 after symmetry expansion | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J. | | Deposit date: | 2021-01-26 | | Release date: | 2021-06-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
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3BTM
 | | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | | Deposit date: | 1999-03-10 | | Release date: | 2000-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
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3BTF
 | | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI. | | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | | Deposit date: | 1999-03-10 | | Release date: | 2000-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
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3C09
 | | Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Matuzumab Fab Heavy chain, ... | | Authors: | Ferguson, K.M, Schmiedel, J, Knoechel, T. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Matuzumab binding to EGFR prevents the conformational rearrangement required for dimerization.
Cancer Cell, 13, 2008
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