6YCK
 
 | | Crystal structure of GcoA T296A bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCO
 | | Crystal structure of GcoA F169S bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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4RCH
 | | Discovery of 2-Pyridyl Ureas as Glucokinase Activators | | Descriptor: | 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose | | Authors: | Voegtli, W, Vigers, G.P.A. | | Deposit date: | 2014-09-16 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
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2UWE
 | | Large CDR3a loop alteration as a function of MHC mutation | | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | | Authors: | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | | Deposit date: | 2007-03-20 | | Release date: | 2007-09-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
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4E90
 | | Human phosphodiesterase 9 in complex with inhibitors | | Descriptor: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-03-20 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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6UVS
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6N55
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine | | Descriptor: | 2'-azido-2'-deoxyuridine, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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4DXC
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6N54
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidocytidine monophosphate | | Descriptor: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate), GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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6UVR
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6UVT
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6V2F
 | | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | | Descriptor: | HIV-1 capsid, Lenacapavir | | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | | Deposit date: | 2019-11-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
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6VTU
 | | DH717.1 Fab monomer in complex with man9 glycan | | Descriptor: | DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ... | | Authors: | Fera, D, Bronkema, N. | | Deposit date: | 2020-02-13 | | Release date: | 2020-12-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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6N53
 | | Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine monophosphate | | Descriptor: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
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6W5Y
 | | Inferred receptor binding domain of human endogenous retrovirus envelope EnvP(b)1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, EnvP(b)1 inferred receptor binding domain, ... | | Authors: | McCarthy, K.R. | | Deposit date: | 2020-03-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Receptor Binding Domain of EnvP(b)1, an Endogenous Retroviral Envelope Protein Expressed in Human Tissues.
Mbio, 11, 2020
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4G2L
 | | Human PDE9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4DXB
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4G2J
 | | Human pde9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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5N09
 | | Crystal structure of L107C/A313C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Heavy chain, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 - Light chain, ... | | Authors: | Duquerroy, S, Rouvinski, A, Guardado-Calvo, P, Vaney, M.-C, Sharma, A, Rey, F. | | Deposit date: | 2017-02-02 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope.
Nat Commun, 8, 2017
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5N0A
 | | Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | | Descriptor: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 HEAVY CHAIN, Envelope Glycoprotein E, ... | | Authors: | Vaney, M.C, Rouvinski, A, Guardado-Calvo, P, Sharma, A, Rey, F.A. | | Deposit date: | 2017-02-02 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope.
Nat Commun, 8, 2017
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5LQ4
 | | The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways | | Descriptor: | CyaGox, FLAVIN MONONUCLEOTIDE | | Authors: | Bent, A.F, Wagner, A, Naismith, J.H. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Acta Crystallogr D Struct Biol, 72, 2016
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1CM1
 | | MOTIONS OF CALMODULIN-SINGLE-CONFORMER REFINEMENT | | Descriptor: | CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA | | Authors: | Wall, M.E, Phillips Jr, G.N. | | Deposit date: | 1997-09-23 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
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1CM4
 | | Motions of calmodulin-four-conformer refinement | | Descriptor: | CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA | | Authors: | Wall, M.E, Phillips Jr, G.N. | | Deposit date: | 1997-09-23 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
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1FO0
 | | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | | Descriptor: | NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ... | | Authors: | Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G. | | Deposit date: | 2000-08-24 | | Release date: | 2000-10-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
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6P3B
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