5SBR
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012 | Descriptor: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.286 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBT
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
6A2P
| Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
|
|
5SBU
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z839988838 | Descriptor: | CD44 antigen, DIMETHYL SULFOXIDE, N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.044 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBS
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.024 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBX
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.051 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBW
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874 | Descriptor: | 1,2-ETHANEDIOL, 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.148 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBV
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798 | Descriptor: | 1,2-ETHANEDIOL, 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBY
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559 | Descriptor: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.217 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBZ
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC0
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899 | Descriptor: | 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.192 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC1
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC2
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124 | Descriptor: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.208 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC3
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SBF
| PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2021-07-23 | Release date: | 2022-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
|
|
5SC4
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 | Descriptor: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC5
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.171 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
6A2O
| Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
|
|
5SC6
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.327 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC7
| CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 | Descriptor: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.197 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SDE
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933 | Descriptor: | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 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. | Deposit date: | 2022-01-20 | Release date: | 2022-02-09 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5SDK
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z416341642 | Descriptor: | (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 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. | Deposit date: | 2022-01-20 | Release date: | 2022-02-09 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5SDJ
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z32327641 | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | 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. | Deposit date: | 2022-01-20 | Release date: | 2022-02-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5SDI
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329 | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-phenyl-N'-pyridin-3-ylurea | 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. | Deposit date: | 2022-01-20 | Release date: | 2022-02-09 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5SDP
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | Descriptor: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 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. | Deposit date: | 2022-01-20 | Release date: | 2022-02-09 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|