8AFU
 
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6DY7
 | | WDR5 in complex with a WIN site inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ... | | Authors: | Phan, J, Wang, F, Fesik, S.W. | | Deposit date: | 2018-07-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
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4KTC
 | | NS3/NS4A protease with inhibitor | | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2013-05-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
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6E1Z
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6E23
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6E22
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6E1Y
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6DYA
 | | WDR5 in complex with a WIN site inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ... | | Authors: | Phan, J, Wang, F, Fesik, S.W. | | Deposit date: | 2018-07-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
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7ROZ
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7RQS
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4BL0
 | | Crystal structure of yeast Bub3-Bub1 bound to phospho-Spc105 | | Descriptor: | CELL CYCLE ARREST PROTEIN BUB3, CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, MAGNESIUM ION, ... | | Authors: | Primorac, I, Weir, J.R, Musacchio, A. | | Deposit date: | 2013-04-30 | | Release date: | 2013-09-18 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bub3 Reads Phosphorylated Melt Repeats to Promote Spindle Assembly Checkpoint Signaling
Elife, 2, 2013
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5NJH
 | | Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin | | Descriptor: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin.
Cell Chem Biol, 24, 2017
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5NCJ
 | | GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine | | Descriptor: | (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ... | | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | | Deposit date: | 2017-03-05 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
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5NCI
 | | GriE in complex with cobalt, alpha-ketoglutarate and l-leucine | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, LEUCINE, ... | | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | | Deposit date: | 2017-03-05 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
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5NCH
 | | GriE apo form | | Descriptor: | Leucine hydroxylase | | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | | Deposit date: | 2017-03-05 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | | Deposit date: | 2011-11-10 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2011-05-26 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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3S7J
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2BZ2
 | | Solution structure of NELF E RRM | | Descriptor: | NEGATIVE ELONGATION FACTOR E | | Authors: | Schweimer, K, Rao, J.N, Neumann, L, Rosch, P, Wohrl, B.M. | | Deposit date: | 2005-08-10 | | Release date: | 2006-08-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural studies on the RNA-recognition motif of NELF E, a cellular negative transcription elongation factor involved in the regulation of HIV transcription.
Biochem. J., 400, 2006
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3S7D
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3S7F
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7XR3
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7XR2
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