3A1J
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![BU of 3a1j by Molmil](/molmil-images/mine/3a1j) | Crystal structure of the human Rad9-Hus1-Rad1 complex | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ... | Authors: | Sohn, S.Y, Cho, Y. | Deposit date: | 2009-04-08 | Release date: | 2009-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Human Rad9-Hus1-Rad1 Clamp J.Mol.Biol., 390, 2009
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8FG8
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![BU of 8fg8 by Molmil](/molmil-images/mine/8fg8) | Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one | Descriptor: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Schormann, N, Deivanayagam, C, Velu, S. | Deposit date: | 2022-12-12 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans . J.Med.Chem., 66, 2023
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7TFI
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![BU of 7tfi by Molmil](/molmil-images/mine/7tfi) | Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with an open clamp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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7TFJ
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![BU of 7tfj by Molmil](/molmil-images/mine/7tfj) | Atomic model of S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with a closed clamp ring | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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5YBI
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![BU of 5ybi by Molmil](/molmil-images/mine/5ybi) | Structure of the bacterial pathogens ATPase with substrate AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ... | Authors: | Mu, Z.X, Gao, X.P, Cui, S. | Deposit date: | 2017-09-05 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.268 Å) | Cite: | Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri. Front Microbiol, 9, 2018
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6FKW
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![BU of 6fkw by Molmil](/molmil-images/mine/6fkw) | Europium-containing methanol dehydrogenase | Descriptor: | EUROPIUM ION, Methanol dehydrogenase, PYRROLOQUINOLINE QUINONE | Authors: | Barends, T, Dietl, A. | Deposit date: | 2018-01-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Similar but not the same: First Kinetic and Structural Analyses of a Methanol Dehydrogenase Containing a Europium Ion in the Active Site. Chembiochem, 2018
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3AF2
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![BU of 3af2 by Molmil](/molmil-images/mine/3af2) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP | Descriptor: | GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Pantothenate kinase | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2010-02-22 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations J.Mol.Biol., 400, 2010
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5OFM
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![BU of 5ofm by Molmil](/molmil-images/mine/5ofm) | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole | Descriptor: | 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | Deposit date: | 2017-07-11 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole To be published
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5JP1
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![BU of 5jp1 by Molmil](/molmil-images/mine/5jp1) | Structure of Xanthomonas campestris effector protein XopD bound to tomato SUMO | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, MALONATE ION, Small ubiquitin-related modifier, ... | Authors: | Pruneda, J.N, Komander, D. | Deposit date: | 2016-05-03 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases. Mol.Cell, 63, 2016
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1O9Y
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3B3K
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![BU of 3b3k by Molmil](/molmil-images/mine/3b3k) | Crystal structure of the complex between PPARgamma and the full agonist LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | Deposit date: | 2007-10-22 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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4L5B
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![BU of 4l5b by Molmil](/molmil-images/mine/4l5b) | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-06-10 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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5WC3
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![BU of 5wc3 by Molmil](/molmil-images/mine/5wc3) | SpoIIIAG | Descriptor: | SpoIIIAG, Stage III sporulation engulfment assemblyprotein | Authors: | Zeytuni, N, Hong, C, Worrall, L.J, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2017-06-29 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Near-atomic resolution cryoelectron microscopy structure of the 30-fold homooligomeric SpoIIIAG channel essential to spore formation in Bacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4RJF
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5HT0
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![BU of 5ht0 by Molmil](/molmil-images/mine/5ht0) | Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A | Descriptor: | Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION | Authors: | Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.752 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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5JP3
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2ZSE
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![BU of 2zse by Molmil](/molmil-images/mine/2zse) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP and Pantothenate | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, GLYCEROL, ... | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2008-09-05 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action Acta Crystallogr.,Sect.D, 65, 2009
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7TNO
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7TNN
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5WE2
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![BU of 5we2 by Molmil](/molmil-images/mine/5we2) | Structural Basis for Telomere Length Regulation by the Shelterin Bridge | Descriptor: | DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ... | Authors: | Kim, J.-K, Liu, J, Hu, X, Sankaran, B, Qiao, F. | Deposit date: | 2017-07-06 | Release date: | 2017-12-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Shelterin Bridge Assembly. Mol. Cell, 68, 2017
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5KPM
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![BU of 5kpm by Molmil](/molmil-images/mine/5kpm) | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | Descriptor: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KPL
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![BU of 5kpl by Molmil](/molmil-images/mine/5kpl) | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KPK
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![BU of 5kpk by Molmil](/molmil-images/mine/5kpk) | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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1NP1
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2H96
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![BU of 2h96 by Molmil](/molmil-images/mine/2h96) | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | Descriptor: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-06-09 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors. J.Med.Chem., 49, 2006
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