9BFF
 
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex C | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10,15-tetraoxo-2-oxa-7,11,14-triaza-1lambda~5~-phosphahexadecan-16-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10-trioxo-2-oxa-7,11-diaza-1lambda~5~-phosphatridecan-13-yl]carbamate (non-preferred name), Tyrocidine synthase 1, Tyrocidine synthase 2 | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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9BFE
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex B | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, ADENOSINE MONOPHOSPHATE, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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9BFG
 | | Structure of the crosslinked PCP-E didomain of tyrocidine synthetase A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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8YY8
 | | Fzd7 -Gs complex | | Descriptor: | Frizzled-7, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Chen, B, Xu, L, Han, G.W, Xu, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
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9F98
 | | Crystal structure of MUS81-EME1, apo form. | | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9BFD
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex A | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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9EXX
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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9EXY
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | | Descriptor: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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9EXW
 | | Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | | Authors: | Collie, G.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
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8WKZ
 | | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31 | | Descriptor: | CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ... | | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9F9A
 | | Crystal structure of MUS81-EME1 bound by compound 12. | | Descriptor: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.911 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8WHG
 | | imine reductase mutant - M3 | | Descriptor: | 6-phosphogluconate dehydrogenase NAD-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhu, X.X, Chen, X.R, Zheng, G.W. | | Deposit date: | 2023-09-23 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | A structure of imine reductase mutant at 2.7 Angstroms resolution.
To Be Published
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9F9M
 | | Crystal structure of MUS81-EME1 bound by compound 21. | | Descriptor: | 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-08 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.469 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9CE9
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8WKY
 | | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25 | | Descriptor: | CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ... | | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9F9K
 | | Crystal structure of MUS81-EME1 bound by compound 15. | | Descriptor: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.728 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9F99
 | | Crystal structure of MUS81-EME1 bound by compound 10. | | Descriptor: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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1U48
 | | Extension of a cytosine-8-oxoguanine base pair | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
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1TTL
 | | Omega-conotoxin GVIA, a N-type calcium channel blocker | | Descriptor: | Omega-conotoxin GVIA | | Authors: | Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J. | | Deposit date: | 2004-06-23 | | Release date: | 2004-07-13 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
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1U45
 | | 8oxoguanine at the pre-insertion site of the polymerase active site | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
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1U4B
 | | Extension of an adenine-8oxoguanine mismatch | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
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1TR6
 | | NMR solution structure of omega-conotoxin [K10]GVIA, a cyclic cysteine knot peptide | | Descriptor: | Omega-conotoxin GVIA | | Authors: | Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J. | | Deposit date: | 2004-06-21 | | Release date: | 2004-07-13 | | Last modified: | 2011-10-05 | | Method: | SOLUTION NMR | | Cite: | The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
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1UA0
 | | Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase | | Descriptor: | 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
J.Biol.Chem., 279, 2004
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1UA1
 | | Structure of aminofluorene adduct paired opposite cytosine at the polymerase active site. | | Descriptor: | 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
J.Biol.Chem., 279, 2004
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1U47
 | | cytosine-8-Oxoguanine base pair at the polymerase active site | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
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