7RKP
| The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733 | Descriptor: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2021-07-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5K98
| Structure of HipA-HipB-O2-O3 complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*G)-3'), ... | Authors: | Schumacher, M. | Deposit date: | 2016-05-31 | Release date: | 2016-06-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance. Nature, 524, 2015
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6VG9
| The crystal structure of the 2009 H1N1/California PA endonuclease I38T mutant in complex with SJ000986248 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-07 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6V9E
| The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000988632 | Descriptor: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one), MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-13 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VBR
| The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-19 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VL3
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VJH
| The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VIV
| The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-14 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5JJZ
| Chromo domain of human Chromodomain Protein, Y-Like 2 | Descriptor: | Chromodomain Y-like protein 2, LYS-LYS-LYS-ALA-ARG-MLY-SER-ALA-GLY-ALA-ALA-LYS-TYR | Authors: | DONG, A, DOMBROVSKI, L, LOPPNAU, P, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, MIN, J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-25 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of CDYL2 domain of human CDYL2 protein to be published
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6WJ7
| The structure of NTMT1 in complex with compound C2A | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, GLY-PRO-LYS-ARG-ILE-ALA-NH2, N-terminal Xaa-Pro-Lys N-methyltransferase 1 | Authors: | Srinivasan, K, Chen, D, Huang, R, Noinaj, N. | Deposit date: | 2020-04-13 | Release date: | 2020-08-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues. J.Med.Chem., 63, 2020
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6WJH
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6WH8
| The structure of NTMT1 in complex with compound BM-30 | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2020-04-07 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies. J.Med.Chem., 63, 2020
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6WIJ
| The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-10 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6WJ4
| The crystal structure of the 2009/H1N1/California PA endonuclease wild type in complex with SJ000986448 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-04-11 | Release date: | 2021-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6WTQ
| Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.79968476 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTN
| Human JAK2 JH1 domain in complex with Ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTP
| Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTO
| Human JAK2 JH1 domain in complex with Baricitinib | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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8DPJ
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030 | Descriptor: | (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-07-15 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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7N68
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2021-06-07 | Release date: | 2022-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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4I4B
| HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA | Descriptor: | (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ... | Authors: | Stauffacher, C.V, Steussy, C.N, Critchelow, C.J, Schmidt, T, Min, J, Wrensford, L.V, Burgner, J.W, Rodwell, V.W. | Deposit date: | 2012-11-27 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4I56
| HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa | Descriptor: | (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Crichelow, C.J, Rodwell, V.W, Wrensford, L.V, Min, J, Burgner II, J.W. | Deposit date: | 2012-11-28 | Release date: | 2013-07-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4I64
| 3-hydroxy-3-methylglutaryl Coenzyme A reductase from Pseudomonas mevalonii, a high resolution native structure | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | Deposit date: | 2012-11-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4I6A
| 3-hydroxy-3-methylglutaryl (HMG) Coenzyme A reductase from Pseudomonas mevalonii complexed with HMG-CoA | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | Deposit date: | 2012-11-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4I6Y
| 3-hydroxy-3-methyl (HMG) Coenzyme A Reductase bound to R-Mevalonate | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | Deposit date: | 2012-11-30 | Release date: | 2013-07-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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