1C8K
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![BU of 1c8k by Molmil](/molmil-images/mine/1c8k) | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-05-11 | Release date: | 2000-05-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J.Biol.Chem., 275, 2000
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1O1I
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1O1M
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![BU of 1o1m by Molmil](/molmil-images/mine/1o1m) | |
8JI1
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![BU of 8ji1 by Molmil](/molmil-images/mine/8ji1) | Crystal structure of Ham1 from Plasmodium falciparum | Descriptor: | Inosine triphosphate pyrophosphatase | Authors: | Pramanik, A, Datta, S. | Deposit date: | 2023-05-25 | Release date: | 2024-05-29 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-function analysis of nucleotide housekeeping protein HAM1 from human malaria parasite Plasmodium falciparum. Febs J., 2024
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1PK0
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![BU of 1pk0 by Molmil](/molmil-images/mine/1pk0) | Crystal Structure of the EF3-CaM complexed with PMEApp | Descriptor: | (ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE, CALCIUM ION, Calmodulin, ... | Authors: | Shen, Y, Tang, W.J. | Deposit date: | 2003-06-04 | Release date: | 2004-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection. Proc.Natl.Acad.Sci.USA, 101, 2004
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3T3H
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![BU of 3t3h by Molmil](/molmil-images/mine/3t3h) | Glycogen Phosphorylase b in complex with GlcIU | Descriptor: | 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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2O8M
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![BU of 2o8m by Molmil](/molmil-images/mine/2o8m) | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | Descriptor: | Protease, SODIUM ION, ZINC ION | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | Deposit date: | 2006-12-12 | Release date: | 2007-10-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization J.Med.Chem., 50, 2007
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5D9K
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![BU of 5d9k by Molmil](/molmil-images/mine/5d9k) | Rsk2 N-terminal Kinase in Complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | Authors: | Appleton, B.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. J.Med.Chem., 58, 2015
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3T3D
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![BU of 3t3d by Molmil](/molmil-images/mine/3t3d) | Glycogen phosphorylase b in complex with GlcU | Descriptor: | 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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3KEN
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![BU of 3ken by Molmil](/molmil-images/mine/3ken) | Human Eg5 in complex with S-trityl-L-cysteine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | Deposit date: | 2009-10-26 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core. J.Biol.Chem., 285, 2010
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1O1O
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1O1L
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2HAL
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![BU of 2hal by Molmil](/molmil-images/mine/2hal) | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-06-13 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
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1MFA
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![BU of 1mfa by Molmil](/molmil-images/mine/1mfa) | |
2GU8
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![BU of 2gu8 by Molmil](/molmil-images/mine/2gu8) | |
2HAI
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![BU of 2hai by Molmil](/molmil-images/mine/2hai) | |
2CE4
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![BU of 2ce4 by Molmil](/molmil-images/mine/2ce4) | Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans | Descriptor: | MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN] | Authors: | Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S. | Deposit date: | 2006-02-03 | Release date: | 2006-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
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5D9L
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![BU of 5d9l by Molmil](/molmil-images/mine/5d9l) | Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole | Descriptor: | 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | Authors: | Appleton, B.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes. J.Med.Chem., 58, 2015
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5KU3
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![BU of 5ku3 by Molmil](/molmil-images/mine/5ku3) | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M, Huang, W. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5DZV
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![BU of 5dzv by Molmil](/molmil-images/mine/5dzv) | Protocadherin alpha 7 extracellular cadherin domains 1-5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ... | Authors: | Goodman, K.M, Bahna, F, Honig, B, Shapiro, L. | Deposit date: | 2015-09-26 | Release date: | 2016-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins. Neuron, 90, 2016
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2CDY
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![BU of 2cdy by Molmil](/molmil-images/mine/2cdy) | Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans | Descriptor: | MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN] | Authors: | Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S. | Deposit date: | 2006-01-31 | Release date: | 2006-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
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1C8L
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![BU of 1c8l by Molmil](/molmil-images/mine/1c8l) | SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, CAFFEINE, GLYCEROL, ... | Authors: | Tsitsanou, K.E, Skamnaki, V.T, Oikonomakos, N.G. | Deposit date: | 2000-05-16 | Release date: | 2000-05-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of the synergistic inhibition of glycogen phosphorylase a by caffeine and a potential antidiabetic drug. Arch.Biochem.Biophys., 384, 2000
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5KTX
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![BU of 5ktx by Molmil](/molmil-images/mine/5ktx) | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KTW
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![BU of 5ktw by Molmil](/molmil-images/mine/5ktw) | CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | Authors: | Murray, J.M, Boenig, G. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.087 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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1HPH
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![BU of 1hph by Molmil](/molmil-images/mine/1hph) | |