LiteFold/PDB huggingface dataset:
PDB entry 5s87: XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2020-12-11
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s88: XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.31 Å
Deposited: 2020-12-11
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s89: XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2020-12-11
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s8a: XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2020-12-11
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s8b: XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.64 Å
Deposited: 2020-12-11
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s8c: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8d: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00539e (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.26 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8e: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00531b (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8f: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00572d (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8g: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00804d (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8h: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00964e (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.29 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8i: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8j: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.21 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8k: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8l: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.23 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8m: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8n: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group C2)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.23 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8o: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01460c (space group P212121)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.67 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8p: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group P212121)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.41 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8q: XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with FMO3D000185a (space group P212121)
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.5 Å
Deposited: 2020-12-17
Authors: Krojer, T., Talon, R., Fairhead, M., Szykowska, A., Burgess-Brown, N.A., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
PDB entry 5s8r: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.22 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8s: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.22 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8t: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.22 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8u: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.33 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8v: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8w: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8x: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8y: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s8z: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s90: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s91: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.29 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s92: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s93: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s94: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s95: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.21 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s96: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s97: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s98: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s99: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9a: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.36 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9b: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex withstarting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.153 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9c: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.14 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9d: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9e: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9g: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.091 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9j: PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Classification: SIGNALING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.15 Å
Deposited: 2021-01-22
Authors: Grosjean, H., Aimon, A., Hassel-Hart , S., Krojer, T., Talon, R., Douangamath, A., Koekemoer, L., Biggin, P.C., Spencer, J., von Delft, F.
PDB entry 5s9k: XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010955a
Classification: TRANSFERASE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.35 Å
Deposited: 2021-03-25
Authors: Williams, E.P., Adamson, R.J., Smil, D., Krojer, T., Burgess-Brown, N., von Delft, F., Bountra, C., Bullock, A.N.
PDB entry 5s9l: AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1.90A, P212121, Rfree=19.1%
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2021-03-31
Authors: Stihle, M., Hunziker, D., Benz, J., Mattei, P., Rudolph, M.G.
PDB entry 5s9m: AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, 1.80A, P212121, Rfree=21.1%
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-03-31
Authors: Stihle, M., Hunziker, D., Benz, J., Mattei, P., Rudolph, M.G.
PDB entry 5s9n: AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3%
Classification: HYDROLASE
Source organism: Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-03-31
Authors: Stihle, M., Hunziker, D., Benz, J., Mattei, P., Rudolph, M.G.
PDB entry 5s9o: CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
Classification: CELL CYCLE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.49 Å
Deposited: 2021-04-01
Authors: Sheriff, S.
PDB entry 5s9p: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide
Classification: CELL CYCLE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2021-04-01
Authors: Sheriff, S.
PDB entry 5s9q: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide
Classification: CELL CYCLE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2021-04-01
Authors: Sheriff, S.
PDB entry 5s9r: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Classification: CELL CYCLE
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposited: 2021-04-01
Authors: Sheriff, S.
PDB entry 5s9s: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434898
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9t: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.66 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9u: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9v: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434826
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9w: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9x: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.84 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9y: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5s9z: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.73 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5sa0: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5sa1: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.84 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5sa2: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.78 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5sa3: PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
Classification: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Source organism: Trypanosoma brucei
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2021-05-18
Authors: Fiorillo, A., Ilari, A.
PDB entry 5sa4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z239136710
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.046 Å
Deposited: 2021-05-19
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.
PDB entry 5sa5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1530301542
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.09 Å
Deposited: 2021-05-19
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.
PDB entry 5sa6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.517 Å
Deposited: 2021-05-19
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.
PDB entry 5sa7: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1673618163
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.222 Å
Deposited: 2021-05-19
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.
PDB entry 5sa8: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z68299550
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.298 Å
Deposited: 2021-05-19
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.
PDB entry 5sa9: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2697514548
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.92 Å
Deposited: 2021-05-19
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.
PDB entry 5saa: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z319891284
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.239 Å
Deposited: 2021-05-19
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.
PDB entry 5sab: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z31504642
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.486 Å
Deposited: 2021-05-19
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.
PDB entry 5sac: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z59181945
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.029 Å
Deposited: 2021-05-19
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.
PDB entry 5sad: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z425449682
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.961 Å
Deposited: 2021-05-19
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.
PDB entry 5sae: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z3219959731
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.12 Å
Deposited: 2021-05-19
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.
PDB entry 5saf: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-321461
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.11 Å
Deposited: 2021-05-19
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.
PDB entry 5sag: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-1605072
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.881 Å
Deposited: 2021-05-19
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.
PDB entry 5sah: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-100112
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2021-05-19
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.
PDB entry 5sai: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1424343998
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 2.022 Å
Deposited: 2021-05-19
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.
PDB entry 5sak: Endothiapepsin in complex with compound FU5-1
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sal: Endothiapepsin in complex with compound FU5-2
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sam: Endothiapepsin in complex with compound FU5-3
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.2 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5san: Endothiapepsin in complex with compound FU5-4
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 0.94 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sao: Endothiapepsin in complex with compound FU58-1
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sap: Endothiapepsin in complex with compound FU58-2
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.04 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5saq: Endothiapepsin in complex with compound FU58-3
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sar: Endothiapepsin in complex with compound FU290-1
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 0.98 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sas: Endothiapepsin in complex with compound FU290-2
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sat: Endothiapepsin in complex with compound FU66-1
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Cryphonectria parasitica
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2021-05-28
Authors: Wollenhaupt, J., Metz, A., Messini, N., Barthel, T., Klebe, G., Weiss, M.S.
PDB entry 5sau: DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sav: DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A, P212121, Rfree=23.5%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.76 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5saw: DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.601 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sax: DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.902 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5say: DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 2.190A, P1211, Rfree=27.7%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5saz: DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sb0: DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sb1: DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.53 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sb2: DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2%
Classification: TRANSFERASE/TRANSFERASE INHIBITOR
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.6 Å
Deposited: 2021-06-22
Authors: Stihle, M., Richter, H., Benz, J., Kocer, B., Hochstrasser, R., Rudolph, M.G.
PDB entry 5sb3: Tubulin-todalam-4-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2021-07-08
Authors: Muehlethaler, T., Milanos, L., Ortega, J.A., Blum, T.B., Gioia, D., Prota, A.E., Cavalli, A., Steinmetz, M.O.
PDB entry 5sb4: Tubulin-todalam-8-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2021-07-08
Authors: Muehlethaler, T., Milanos, L., Ortega, J.A., Blum, T.B., Gioia, D., Prota, A.E., Cavalli, A., Steinmetz, M.O.
PDB entry 5sb5: Tubulin-todalam-9-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2021-07-08
Authors: Muehlethaler, T., Milanos, L., Ortega, J.A., Blum, T.B., Gioia, D., Prota, A.E., Cavalli, A., Steinmetz, M.O.
PDB entry 5sb6: Tubulin-todalam-10-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2021-07-08
Authors: Muehlethaler, T., Milanos, L., Ortega, J.A., Blum, T.B., Gioia, D., Prota, A.E., Cavalli, A., Steinmetz, M.O.
PDB entry 5sb7: Tubulin-todalam-18-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2021-07-08
Authors: Muehlethaler, T., Milanos, L., Ortega, J.A., Blum, T.B., Gioia, D., Prota, A.E., Cavalli, A., Steinmetz, M.O.
PDB entry 5sb8: Tubulin-maytansinoid-3-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sb9: Tubulin-maytansinoid-4a-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sba: Tubulin-maytansinoid-4b-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sbb: Tubulin-maytansinoid-4c-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sbc: Tubulin-maytansinoid-5a-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sbd: Tubulin-maytansinoid-5b-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sbe: Tubulin-maytansinoid-5c-complex
Classification: CELL CYCLE
Source organism: Bos taurus; Gallus gallus; Rattus norvegicus
Experimental method: X-RAY DIFFRACTION
Resolution: 2.75 Å
Deposited: 2021-07-20
Authors: Marzullo, P., Boiarska, Z., Perez-Pena, H., Abel, A.-C., Alvarez-Bernad, B., Lucena-Agell, D., Vasile, F., Sironi, M., Steinmetz, M.O., Prota, A.E., Diaz, J.F., Pieraccini, S., Passarella, D.
PDB entry 5sbf: PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU
Classification: HYDROLASE
Source organism: Severe acute respiratory syndrome coronavirus 2
Experimental method: X-RAY DIFFRACTION
Resolution: 1.64 Å
Deposited: 2021-07-23
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.
PDB entry 5sbg: The crystal structure of METP in complex with Zn at a resolution of 1.34 A.
Classification: DE NOVO PROTEIN
Experimental method: X-RAY DIFFRACTION
Resolution: 1.338 Å
Deposited: 2021-08-24
Authors: Di Costanzo, L., La Gatta, S., Chino, M.
PDB entry 5sbi: The crystal structure of METP in complex with Co at a resolution of 1.80A.
Classification: DE NOVO PROTEIN
Experimental method: X-RAY DIFFRACTION
Resolution: 1.799 Å
Deposited: 2021-08-24
Authors: Di Costanzo, L., La Gatta, S., Leone, L., Chino, M.
PDB entry 5sbj: The crystal structure of METP in complex with Cd at a resolution of 1.29 A.
Classification: DE NOVO PROTEIN
Experimental method: X-RAY DIFFRACTION
Resolution: 1.28 Å
Deposited: 2021-08-24
Authors: Di Costanzo, L., La Gatta, S., Pavone, V.
PDB entry 5sbk: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.23 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 5sbl: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z126932614
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.198 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 5sbm: CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1267885772
Classification: PROTEIN BINDING
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.14 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.