LiteFold/PDB huggingface dataset:
PDB entry 5sbn: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.181 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbo: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.274 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbp: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.275 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbq: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 0.988 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbr: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.286 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbs: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.024 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbt: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.16 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbu: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z839988838
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.044 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbv: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.109 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbw: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.148 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbx: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.051 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sby: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.217 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sbz: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc0: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.192 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc1: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.165 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc2: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.208 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc3: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc4: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.165 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc5: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.171 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc6: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.327 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc7: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.197 Å
Deposited: 2021-09-14
Authors: Bradshaw, W.J., Katis, V.L., Bezerra, G.A., Koekemoer, L., von Delft, F., Bountra, C., Brennan, P.E., Gileadi, O.
PDB entry 5sc8: Structure of liver pyruvate kinase in complex with anthraquinone derivative 17
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.77 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sc9: Structure of liver pyruvate kinase in complex with anthraquinone derivative 29
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.685 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sca: Structure of liver pyruvate kinase in complex with anthraquinone derivative 36
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.918 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scb: Structure of liver pyruvate kinase in complex with anthraquinone derivative 28
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scc: Structure of liver pyruvate kinase in complex with anthraquinone derivative 57
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.885 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scd: Structure of liver pyruvate kinase in complex with anthraquinone derivative 58
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.041 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sce: Structure of liver pyruvate kinase in complex with anthraquinone derivative 55
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.147 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scf: Structure of liver pyruvate kinase in complex with anthraquinone derivative 99
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.185 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scg: Structure of liver pyruvate kinase in complex with anthraquinone derivative 101
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.937 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sch: Structure of liver pyruvate kinase in complex with anthraquinone derivative 100
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.089 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sci: Structure of liver pyruvate kinase in complex with anthraquinone derivative 105
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.155 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scj: Structure of liver pyruvate kinase in complex with anthraquinone derivative 106
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.354 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sck: Structure of liver pyruvate kinase in complex with anthraquinone derivative 42
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.717 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scl: Structure of liver pyruvate kinase in complex with anthraquinone derivative 1
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.134 Å
Deposited: 2021-12-01
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5scm: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scn: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-25
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.45 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sco: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scp: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scq: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-614
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scr: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-735
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scs: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-781
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sct: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-783
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scu: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-888
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.65 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scv: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-889
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scw: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-916
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scx: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scy: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5scz: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1224
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd0: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd1: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd2: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1236 (enantiomer)
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd3: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1088
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd4: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1218
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd5: Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Mycobacterium tuberculosis H37Rv
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd6: Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-892
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd7: Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-735
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd8: Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sd9: Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1096
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sda: Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-774
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.45 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sdb: Crystal Structure of Human DHFR complexed with NADP and N10-formyl-tetrahydrofolate
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.55 Å
Deposited: 2021-12-20
Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID)
PDB entry 5sdc: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434912
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.928 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdd: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.839 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sde: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.854 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdf: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.877 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdg: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdh: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434854
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.313 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdi: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.898 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdj: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z32327641
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.041 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdk: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z416341642
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.977 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdl: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.44 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdm: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.039 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdn: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z437584380
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.023 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdo: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z19735067
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.051 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdp: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.195 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdq: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.92 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdr: PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1273312153
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 2.077 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sds: PanDDA analysis group deposition of ground-state model of Porphyromonas gingivalis DPP11
Classification: HYDROLASE
Source organism: Porphyromonas gingivalis
Experimental method: X-RAY DIFFRACTION
Resolution: 1.91 Å
Deposited: 2022-01-20
Authors: Tham, C.T., Coker, J.A., Krojer, T., Foster, W.R., Koekemoer, L., Douangamath, A., Talon, R., Fearon, D., von Delft, F., Yue, W.W., Bountra, C., Bezerra, G.A.
PDB entry 5sdt: Structure of liver pyruvate kinase in complex with anthraquinone derivative 15
Classification: TRANSFERASE/TRANSFERASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.944 Å
Deposited: 2022-01-20
Authors: Lulla, A., Foller, A., Nain-Perez, A., Grotli, M., Brear, P., Hyvonen, M.
PDB entry 5sdu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(oc(n1)c2ccccc2)C)CCc3nc(cn3C)c4ccccc4, micromolar IC50=0.046796
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sdv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(C(=O)NCc1cocn1)cnn2C)C(=O)Nc4nc3nc(cn3cc4)c5ccccc5, micromolar IC50=0.001258
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sdw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc1ccc2c(c1)nc([nH]2)c3ccccc3)(=O)c4c(C(N(C)C)=O)cnn4C, micromolar IC50=0.0003757
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sdx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cccc(n1)CCc2nc(cn2C)c3ccccc3)N4CCOCC4, micromolar IC50=3.142777
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sdy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(NC(c1nc(ccc1Nc2cncnc2)C3CC3)=O)cnn4CCOC)C(N(C)C)=O, micromolar IC50=0.012613
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-01-21
Authors: Joseph, C., Rodriguez-Sarmiento, R.M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sdz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)N(C[C@@H](CO)O)C)C)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O, micromolar IC50=0.01933
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn1CCO)c2ccccn2)NC(c3nc(ccc3Nc4cncnc4)C5CC5)=O, micromolar IC50=0.002253
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nn(cc1NC(c2nc(ccc2Nc3cncnc3)C4CC4)=O)C)C(=O)N(C)C, micromolar IC50=0.031527
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-01-21
Authors: Joseph, C., Rodriguez-Sarmiento, R.M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(cc2)CCc3nc(cn3C)c4ccccc4, micromolar IC50=0.093936
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)NC(c4ccnc(c4)Cl)=O, micromolar IC50=0.045025
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.14 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc2nc(nn12)CCc3nc(cn3C)c4ccccc4)C5CC5)C, micromolar IC50=0.001357
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4ncc(Nc1ncc(nc1C(Nc2c(n(C)nc2)C(=O)NC)=O)C3CC3)cn4, micromolar IC50=0.0069268
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc4c(c(n1)OCc2nc(cn2C)c3ccccc3)ncn4C)C, micromolar IC50=0.099277
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(c(c(C(=O)N1CCC1)cn2)C(Nc4cc3nc(nn3cc4)c5ccccc5)=O)C, micromolar IC50=0.00054035
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.17 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(n1)c2ccccc2)CCNC(c4c(C(N3CCC3)=O)cnn4C)=O, micromolar IC50=0.021263
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-01-21
Authors: Joseph, C., Koerner, M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5se9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C)OCc3nc(cn3C)c4ccccc4, micromolar IC50=0.007179
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.94 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sea: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccc2)NC(c3c(ccc(n3)C4CC4)Nc5cncnc5)=O, micromolar IC50=0.000866
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCCC1)c2nn(c(n2)CCc3nc4c(nc3C)cccc4)C, micromolar IC50=0.061409
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.28 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sec: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(c(n2)C)CCc3nc(cn3c4ccccc4)c5ccccc5, micromolar IC50=0.000332
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sed: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(cc2c(c1)nc(nc2N3CCOCC3)OCc4nc(cn4C)c5ccccc5)Cl, micromolar IC50=0.00213
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5see: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccn2)NC(=O)c3nc(ccc3Nc4cncnc4)C5CC5, micromolar IC50=0.003431
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-01-21
Authors: Joseph, C., Rodriguez-Sarmiento, R.M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sef: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nn(c(n1)CCc2nn3c(n2)c(c(nc3C)C)C)C)N4CCCC4, micromolar IC50=0.013626
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(C(=O)NC1COC1)cc3c(c2)nc([nH]3)c4ccccc4)NC(C5=CC(=CN(C5=O)C)Br)=O, micromolar IC50=0.006706
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-01-21
Authors: Joseph, C., Bleicher, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(c(c(C(=O)N1CCC1)cn2)C(Nc4cc3nc(nn3cc4)N5CCOCC5)=O)C, micromolar IC50=0.002043
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sei: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(n(nc1N2CCCC2)C)\C=C\c3nn4c(n3)ccc(c4)Cl, micromolar IC50=0.130486
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.37 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sej: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(cn1c(nc(n1)CCc2nc(nn2C)N3CCCC3)cc4)Cl, micromolar IC50=0.062679
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.44 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sek: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(c(n2)C)CCc3nc(cn3C)c4ccccc4, micromolar IC50=0.005172
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sel: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c3(c(C(Nc1cc(nn1C)c2ncccc2)=O)n(nc3)C)C(=O)N4CCC4, micromolar IC50=0.00796
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sem: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C(F)(F)F)CCc3nc(cn3C)c4ccccc4, micromolar IC50=0.0038755
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sen: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(=O)Nc3cn(c2nc1ccccc1cc2)cn3)n(C)nc4)C(=O)N5CCC5, micromolar IC50=0.000697
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(C(c2c(C1=O)cccc2)=O)CCc3c([nH]c(n3)c4ccccc4)C, micromolar IC50=0.088095
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-01-21
Authors: Joseph, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sep: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(c1nc(nn1c(c2)C)CCc3nc(cn3C)C4CCCC4)C, micromolar IC50=0.101481
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nn(c(n1)CCc2nn3c(n2)c(nc(c3C)C)C)C)N4CCCC4, micromolar IC50=0.037262
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.18 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5ser: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)C(=O)N(C)CCF)C(Nc3cc2nc(nn2cc3)c4ccccc4)=O, micromolar IC50=0.0009363
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5ses: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@@H]5(NC(c1c(cnn1C)C(N2CCC2)=O)=O)CCn3c(nc(c3)c4ccccc4)C5, micromolar IC50=0.0196855
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.11 Å
Deposited: 2022-01-21
Authors: Joseph, C., Bleicher, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5set: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn1C)c2ccccn2)NC(=O)c3c(ccc(n3)C4CC4)Nc5cncnc5, micromolar IC50=>1.66968
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5seu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cn1nc(nc1cc2)CCc3nc(nn3C)N4CCCC4)C(F)(F)F, micromolar IC50=0.541196
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.09 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sev: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C)nc(c(n1)CCc2nc(cn2C)c3ccccc3)C)C, micromolar IC50=0.081773
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sew: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C(NC)=O)n(nc1)CCOC)NC(c2nc(ccc2Nc3cncnc3)C4CC4)=O, micromolar IC50=0.000881
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-01-21
Authors: Joseph, C., Rodriguez-Sarmiento, R.M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sex: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c([nH]c2c1cc(c(c2)C(=O)NC)NC(c3cccc(n3)C)=O)c4ccccc4, micromolar IC50=0.035752
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sey: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(c1)c2ccccc2)C#Cc5nn3c(nc(c3CO)C4CC4)cc5, micromolar IC50=0.046595
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sez: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc(c1)CC)Cl)C(Nc3cc2nc(nn2cc3)c4ccccc4)=O, micromolar IC50=0.010134
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.99 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(N1CCC1)(=O)c4c(C(Nc2cc(n[nH]2)c3ccccn3)=O)n(nc4)C, micromolar IC50=0.008299
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C(F)F)C#Cc3nc(cn3C)c4ccccc4, micromolar IC50=0.001029
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.11 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4ccc5c(c4)C(NC5)=O)=O, micromolar IC50=0.019496
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.02 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)C(NCc2ccn[nH]2)=O)C(Nc4nc3nc(cn3cc4)c5ccccc5)=O, micromolar IC50=0.0025705
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.