1B3N
 
 | | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | | Authors: | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | | Deposit date: | 1998-12-14 | | Release date: | 1999-04-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
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8CPL
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7PFL
 | | The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | | Descriptor: | Replicase polyprotein 1ab, SODIUM ION | | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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7PFM
 | | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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1E5M
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1OQ9
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate. | | Descriptor: | ACETATE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQB
 | | The Crystal Structure of the one-iron form of the di-iron center in Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | | Descriptor: | Acyl-[acyl-carrier protein] desaturase, FE (II) ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ7
 | | The crystal structure of the iron free (Apo-)form of Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean). | | Descriptor: | Acyl-[acyl-carrier protein] desaturase, STRONTIUM ION | | Authors: | Moche, M, Shanklin, J, Ghoshal, A.K, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Azide and Acetate Complexes plus two iron-depleted Crystal Structures of the Di-iron Enzyme delta9 Stearoyl-ACP Desaturase-Implications for Oxygen Activation and Catalytic Intermediates
J.Biol.Chem., 278, 2003
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1OQ4
 | | The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide. | | Descriptor: | AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION | | Authors: | Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2003-03-07 | | Release date: | 2003-05-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azide and acetate complexes plus two iron-depleted crystal structures of the di-iron enzyme delta 9 stearoyl-ACP desaturase- implications for oxygen activation and catalytic intermediates.
J.Biol.Chem., 278, 2003
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2JCN
 | | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION | | Authors: | Moche, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lundgren, S, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-27 | | Release date: | 2007-01-04 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane
To be Published
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2JI4
 | | Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41) | | Descriptor: | CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2 | | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2007-02-26 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
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2JGY
 | | The crystal structure of human orotidine-5'-decarboxylase domain of human uridine monophosphate synthetase (UMPS) | | Descriptor: | UMP SYNTHASE | | Authors: | Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-16 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of Human Orotidine-5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
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3IHL
 | | Human CTPS2 crystal structure | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CTP synthase 2, PHOSPHATE ION | | Authors: | Moche, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human CTPS2 crystal structure
To be Published
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2YF0
 | | Human Myotubularin related protein 6 (MTMR6) | | Descriptor: | MYOTUBULARIN-RELATED PROTEIN 6, SULFATE ION | | Authors: | Moche, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2011-03-31 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of Human Mtmr6
To be Published
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2V4M
 | | The isomerase domain of human glutamine-fructose-6-phosphate transaminase 1 (GFPT1) in complex with fructose 6-phosphate | | Descriptor: | CHLORIDE ION, FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE [ISOMERIZING] 1 | | Authors: | Moche, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, S, Schueler, H, Thorsell, A.G, Tresaugues, L, Uppenberg, J, Van Den Berg, S, Welin, M, Wisniewska, M, Weigelt, J, Nordlund, P, Wikstrom, M. | | Deposit date: | 2008-09-26 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The Isomerase Domain of Human Gfpt1 in Complex with Fructose 6-Phosphate
To be Published
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2V30
 | | Human orotidine 5'-phosphate decarboxylase domain of uridine monophospate synthetase (UMPS) in complex with its product UMP. | | Descriptor: | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-10 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human Orotidine 5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
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2UZ9
 | | Human guanine deaminase (guaD) in complex with zinc and its product Xanthine. | | Descriptor: | GUANINE DEAMINASE, XANTHINE, ZINC ION | | Authors: | Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-26 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine
To be Published
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2WEF
 | | Human 3'(2'), 5'-bisphosphate nucleotidase 1 (BPNT1) in complex with AMP, PO4 and Magnesium | | Descriptor: | 3'(2'), 5'-BISPHOSPHATE NUCLEOTIDASE 1, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Moche, M, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-30 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human 3'(2'), 5'-Bisphosphate Nucleotidase 1 (Bpnt1) in Complex with AMP, Po4 and Magnesium
To be Published
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2X8A
 | | Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain | | Descriptor: | NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION | | Authors: | Moche, M, Schuetz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H. | | Deposit date: | 2010-03-08 | | Release date: | 2010-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain
To be Published
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2WNS
 | | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | | Descriptor: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-07-19 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
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9EO6
 | | SARS-CoV2 major protease in complex with a covalent inhibitor SLL11. | | Descriptor: | 3C-like proteinase nsp5, Inhibitor SLL11, POTASSIUM ION | | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | Deposit date: | 2024-03-14 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
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9EOX
 | | SARS-CoV2 major protease in covalent complex with a soluble inhibitor. | | Descriptor: | 3C-like proteinase nsp5, POTASSIUM ION, Soluble inhibitor | | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | Deposit date: | 2024-03-15 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
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9EOR
 | | SARS-CoV2 major protease in complex with a covalent inhibitor SLL12. | | Descriptor: | 3C-like proteinase nsp5, Inhibitor SLL12, POTASSIUM ION | | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | | Deposit date: | 2024-03-15 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
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8BLR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-22 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
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8CPR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
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