4WKB
 
 | | Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-10-02 | | Release date: | 2015-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
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3SK3
 | | Crystal structure of Salmonella typhimurium acetate kinase (AckA) with citrate bound at the dimeric interface | | Descriptor: | 1,2-ETHANEDIOL, Acetate kinase, CITRIC ACID | | Authors: | Chittori, S, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2011-06-22 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and mechanistic investigations on Salmonella typhimurium acetate kinase (AckA): identification of a putative ligand binding pocket at the dimeric interface
Bmc Struct.Biol., 12, 2012
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3SLC
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2E6B
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2E6E
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2E69
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2E6G
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2E6C
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2GJ8
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2E6H
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2F5N
 | | MutM crosslinked to undamaged DNA sampling A:T base pair IC1 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*AP*GP*GP*TP*CP*TP*AP*CP*C)-3', GLYCEROL, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2GJA
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2GJ9
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2F5O
 | | MutM crosslinked to undamaged DNA sampling G:C base pair IC3 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*TP*CP*CP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*GP*GP*AP*TP*CP*TP*AP*CP*C)-3', GLYCEROL, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2F5S
 | | Catalytically inactive (E3Q) MutM crosslinked to oxoG:C containing DNA CC1 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*(8OG)P*AP*GP*TP*CP*TP*AP*CP*C)-3', ZINC ION, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2F5Q
 | | Catalytically inactive (E3Q) MutM crosslinked to oxoG:C containing DNA CC2 | | Descriptor: | 5'-D(*AP*GP*G*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*G*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', ZINC ION, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2F5P
 | | MutM crosslinked to undamaged DNA sampling A:T base pair IC2 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*TP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*G*TP*CP*CP*AP*AP*GP*TP*CP*TP*AP*CP*C)-3', ZINC ION, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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8FFT
 | | Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine | | Descriptor: | Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION | | Authors: | Chen, P.Y.-T, Lima, S.T, Chekan, J.R, Moore, B.S. | | Deposit date: | 2022-12-10 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
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8FFU
 | | Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine, with the substrate bound | | Descriptor: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name), Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION | | Authors: | Chen, P.Y.-T, Moore, B.S. | | Deposit date: | 2022-12-10 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
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8G2G
 | | Crystal structure of PRMT3 with compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-02-03 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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4UM3
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 | | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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4UM1
 | | Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 | | Descriptor: | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN | | Authors: | Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M. | | Deposit date: | 2014-05-14 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
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8G2I
 | | Crystal Structure of PRMT4 with Compound YD1290 | | Descriptor: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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4V3D
 | | The CIDRa domain from HB3var03 PfEMP1 bound to endothelial protein C receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOTHELIAL PROTEIN C RECEPTOR, ... | | Authors: | Lau, C.K.Y, Turner, L, Jespersen, J.S, Lowe, E.D, Petersen, B, Wang, C.W, Petersen, J.E.V, Lusingu, J, Theander, T.G, Lavstsen, T, Higgins, M.K. | | Deposit date: | 2014-10-17 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Conservation Despite Huge Sequence Diversity Allows Epcr Binding by the Pfemp1 Family Implicated in Severe Childhood Malaria.
Cell Host Microbe., 17, 2015
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4WAF
 | | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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