6D0E
 
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13 | | Descriptor: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2018-04-10 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
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6D2P
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6CRO
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7SN1
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7SN0
 | | Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2 | | Descriptor: | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Clark, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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7SN3
 | | Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Shankar, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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7SN2
 | | Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Abraham, J, Yang, P, Shankar, S. | | Deposit date: | 2021-10-27 | | Release date: | 2021-12-08 | | Last modified: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
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1NHO
 | | Structural and Functional characterization of a Thioredoxin-like Protein from Methanobacterium thermoautotrophicum | | Descriptor: | Probable Thioredoxin | | Authors: | Amegbey, G.Y, Monzavi, H, Habibi-Nazhad, B, Bhattacharyya, S, Wishart, D.S. | | Deposit date: | 2002-12-19 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of a Thioredoxin-like Protein (Mt0807) from Methanobacterium thermoautotrophicum
Biochemistry, 42, 2003
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2RKF
 | | HIV-1 PR resistant mutant + LPV | | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ... | | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | | Deposit date: | 2007-10-16 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
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2RPD
 | | Mhr1p-bound ssDNA | | Descriptor: | DNA (5'-D(*DTP*DAP*DCP*DG)-3') | | Authors: | Masuda, T, Ito, Y, Shibata, T, Mikawa, T. | | Deposit date: | 2008-05-15 | | Release date: | 2009-05-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A non-canonical DNA structure enables homologous recombination in various genetic systems
J.Biol.Chem., 284, 2009
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2BO9
 | | Human carboxypeptidase A4 in complex with human latexin. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ... | | Authors: | Pallares, I, Bonet, R, Garcia-Castellanos, R, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Rueth, F.X. | | Deposit date: | 2005-04-08 | | Release date: | 2005-04-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Human Carboxypeptidase A4 with its Endogenous Protein Inhibitor, Latexin.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2RKG
 | | HIV-1 PR resistant mutant + LPV | | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | | Deposit date: | 2007-10-16 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
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2C2A
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2BR0
 | | DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | | Deposit date: | 2005-04-28 | | Release date: | 2005-06-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
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1OF1
 | | KINETICS AND CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (SOUTH)-METHANOCARBA-THYMIDINE | | Descriptor: | (SOUTH)-METHANOCARBA-THYMIDINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Claus, M.T, Schelling, P, Folkers, G, Marquez, V.E, Scapozza, L, Schulz, G.E. | | Deposit date: | 2003-04-03 | | Release date: | 2004-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and Structural Characterization of (South)-Methanocarbathymidine that Specifically Inhibits Growth of Herpes Simplex Virus Type 1 Thymidine Kinase-Transduced Osteosarcoma Cells
J.Biol.Chem., 279, 2004
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7SOG
 | | Thermostable actophorin | | Descriptor: | Actophorin, NICKEL (II) ION | | Authors: | Lieberman, R.L, Quirk, S. | | Deposit date: | 2021-10-30 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure and activity of a thermally stable mutant of Acanthamoeba actophorin.
Acta Crystallogr.,Sect.F, 78, 2022
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2BSQ
 | | FitAB bound to DNA | | Descriptor: | IR36, FORWARD STRAND, REVERSE STRAND, ... | | Authors: | Mattison, K, Wilbur, J.S, So, M, Brennan, R.G. | | Deposit date: | 2005-05-23 | | Release date: | 2006-08-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Fitab from Neisseria Gonorrhoeae Bound to DNA Reveals a Tetramer of Toxin-Antitoxin Heterodimers Containing Pin Domains and Ribbon-Helix-Helix Motifs.
J.Biol.Chem., 281, 2006
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2BQU
 | | DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine | | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*TP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | | Deposit date: | 2005-04-28 | | Release date: | 2005-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine.
J.Biol.Chem., 280, 2005
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2RPF
 | | RecO-bound ssDNA | | Descriptor: | DNA (5'-D(*DTP*DAP*DCP*DG)-3') | | Authors: | Masuda, T, Ito, Y, Shibata, T, Mikawa, T. | | Deposit date: | 2008-05-15 | | Release date: | 2009-05-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A non-canonical DNA structure enables homologous recombination in various genetic systems
J.Biol.Chem., 284, 2009
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7SQO
 | | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | | 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-1, ... | | Authors: | McGrath, A.P, Kang, Y, Flinspach, M. | | Deposit date: | 2021-11-05 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
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2C3I
 | | CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 | | Authors: | Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J. | | Deposit date: | 2005-10-07 | | Release date: | 2005-11-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
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7SR8
 | | Molecular mechanism of the the wake-promoting agent TAK-925 | | 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, Hypocretin receptor type 2, ... | | Authors: | Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M. | | Deposit date: | 2021-11-08 | | Release date: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
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1NON
 | | PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus | | Descriptor: | PyrR bifunctional protein | | Authors: | Switzer, R.L, Chander, P, Smith, J.L, Halbig, K.M, Miller, J.K, Bonner, H.K, Grabner, G.K. | | Deposit date: | 2003-01-16 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides
J.Bacteriol., 187, 2005
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2RPH
 | | RecT-bound ssDNA | | Descriptor: | DNA (5'-D(*DTP*DAP*DCP*DG)-3') | | Authors: | Masuda, T, Ito, Y, Shibata, T, Mikawa, T. | | Deposit date: | 2008-05-15 | | Release date: | 2009-05-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A non-canonical DNA structure enables homologous recombination in various genetic systems
J.Biol.Chem., 284, 2009
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2RPE
 | | hsRad51-bound ssDNA | | Descriptor: | DNA (5'-D(*DTP*DAP*DCP*DG)-3') | | Authors: | Masuda, T, Ito, Y, Shibata, T, Mikawa, T. | | Deposit date: | 2008-05-15 | | Release date: | 2009-05-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A non-canonical DNA structure enables homologous recombination in various genetic systems
J.Biol.Chem., 284, 2009
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