6GJB
 
 | | Erk2 signalling protein | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate | | Authors: | O'Reilly, M. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
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6GJD
 | | Erk2 signalling protein | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | O'Reilly, M. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
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4XSC
 | | Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PENTAETHYLENE GLYCOL, Thymidylate synthase | | Authors: | Hew, K. | | Deposit date: | 2015-01-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
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3V2B
 | | Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose | | Descriptor: | Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2011-12-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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7D8B
 | | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways | | Descriptor: | Eukaryotic translation initiation factor 4E, VH-S4 | | Authors: | Frosi, Y, Lin, Y.C, Jiang, S, Brown, C.J. | | Deposit date: | 2020-10-07 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
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4J21
 | | Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one | | Descriptor: | 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-02-04 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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4J3L
 | | Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide | | Descriptor: | 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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7D6Y
 | | eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Eukaryotic translation initiation factor 4E, VH Domain (1C5), ... | | Authors: | Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C. | | Deposit date: | 2020-10-02 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways
To Be Published
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4J22
 | | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide | | Descriptor: | 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-02-04 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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7DIJ
 | | Falcilysin in complex with MK-4815 | | Descriptor: | 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-19 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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7DIA
 | | Falcilysin in complex with mefloquine | | Descriptor: | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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7DI7
 | | Falcilysin in complex with chloroquine | | Descriptor: | ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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4IUE
 | | Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one | | Descriptor: | 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-01-21 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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4J3M
 | | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid | | Descriptor: | 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | | Deposit date: | 2013-02-06 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
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1AV8
 | | RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT FROM E. COLI | | Descriptor: | MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2 | | Authors: | Han, S, Arvai, A, Tainer, J.A. | | Deposit date: | 1997-09-30 | | Release date: | 1998-10-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
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4MXE
 | | Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase ESCO1 | | Authors: | Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-26 | | Release date: | 2015-04-08 | | Last modified: | 2016-05-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
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5MMT
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4HLY
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4HLX
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4J1Z
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2PZ9
 | | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | | Descriptor: | Putative regulatory protein, SULFATE ION | | Authors: | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-05-17 | | Release date: | 2007-06-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
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3IUY
 | | Crystal structure of DDX53 DEAD-box domain | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX53 | | Authors: | Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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3PAW
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3KJD
 | | Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888 | | Descriptor: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-03 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
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3KCZ
 | | Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide | | Descriptor: | 3-aminobenzamide, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
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