5WUU
 
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6LJ5
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ0
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss02122 | | Descriptor: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ4
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 | | Descriptor: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ8
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 | | Descriptor: | 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LIP
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 | | Descriptor: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-12 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LIZ
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6LJ7
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6LJ6
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6LL9
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3PCU
 | | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-10-22 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
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4XQO
 | | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLN | | 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 HA1 chain, ... | | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | | Deposit date: | 2015-01-19 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
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4XQ5
 | | Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors | | 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 HA1 chain, ... | | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | | Deposit date: | 2015-01-19 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
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4XQU
 | | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN | | 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 HA1, ... | | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | | Deposit date: | 2015-01-20 | | Release date: | 2015-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
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2W8K
 | | Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-16 | | Release date: | 2009-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
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2W8L
 | | Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in anti orientation | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-16 | | Release date: | 2009-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
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2W9A
 | | Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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2W9B
 | | Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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2W9C
 | | Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dTTP | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*DOCP)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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5F1K
 | | human CD38 in complex with nanobody MU1053 | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053 | | Authors: | Zhang, H, Hao, Q. | | Deposit date: | 2015-11-30 | | Release date: | 2016-06-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
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5F1O
 | | human CD38 in complex with nanobody MU551 | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551 | | Authors: | Zhang, H, Hao, Q. | | Deposit date: | 2015-11-30 | | Release date: | 2016-06-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
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3ROP
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3ROK
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3ROQ
 | | Crystal structure of human CD38 in complex with compound CZ-46 | | Descriptor: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate, ADP-ribosyl cyclase 1 | | Authors: | Zhang, H, Lee, H.C, Hao, Q. | | Deposit date: | 2011-04-26 | | Release date: | 2011-12-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
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3ROM
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