4FJ2
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![BU of 4fj2 by Molmil](/molmil-images/mine/4fj2) | Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and biochanin A | Descriptor: | 1,2-ETHANEDIOL, 17beta-hydroxysteroid dehydrogenase, 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, ... | Authors: | Cassetta, A, Lamba, D, Krastanova, I. | Deposit date: | 2012-06-11 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl. J. Steroid Biochem. Mol. Biol., 171, 2017
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1J2G
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3UDR
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![BU of 3udr by Molmil](/molmil-images/mine/3udr) | Crystal Structure of BACE with Compound 14 | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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4FJN
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![BU of 4fjn by Molmil](/molmil-images/mine/4fjn) | RB69 DNA polymerase ternary complex with dTTP/dA | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-06-11 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase. J.Am.Chem.Soc., 135, 2013
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3V47
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![BU of 3v47 by Molmil](/molmil-images/mine/3v47) | Crystal structure of the N-terminal fragment of zebrafish TLR5 in complex with Salmonella flagellin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Flagellin, ... | Authors: | Yoon, S.I, Hong, H, Wilson, I.A. | Deposit date: | 2011-12-14 | Release date: | 2012-02-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural basis of TLR5-flagellin recognition and signaling. Science, 335, 2012
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6XCZ
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![BU of 6xcz by Molmil](/molmil-images/mine/6xcz) | Porcine pepsin in complex with saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Pepsin A | Authors: | Vuksanovic, N, Silvaggi, N.R. | Deposit date: | 2020-06-09 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Porcine pepsin in complex with saquinavir To Be Published
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4FGI
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![BU of 4fgi by Molmil](/molmil-images/mine/4fgi) | Structure of the effector - immunity system Tse1 / Tsi1 from Pseudomonas aeruginosa | Descriptor: | Tse1, Tsi1 | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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4FHF
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![BU of 4fhf by Molmil](/molmil-images/mine/4fhf) | Spore photoproduct lyase C140A mutant with dinucleoside spore photoproduct | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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4FKJ
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3V5W
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3UFD
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![BU of 3ufd by Molmil](/molmil-images/mine/3ufd) | C.Esp1396I bound to its highest affinity operator site OM | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), ... | Authors: | Ball, N.J, McGeehan, J.E, Streeter, S.D, Thresh, S.-J, Kneale, G.G. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structural basis of differential DNA sequence recognition by restriction-modification controller proteins. Nucleic Acids Res., 40, 2012
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4FKW
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![BU of 4fkw by Molmil](/molmil-images/mine/4fkw) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FI5
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4FIC
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3V6N
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4FL5
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3V70
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![BU of 3v70 by Molmil](/molmil-images/mine/3v70) | Crystal Structure of Human GTPase IMAP family member 1 | Descriptor: | GTPase IMAP family member 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Nedyalkova, L, Shen, Y, Tong, Y, Tempel, W, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-20 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Crystal Structure of Human GTPase IMAP family member 1 to be published
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4FLM
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![BU of 4flm by Molmil](/molmil-images/mine/4flm) | S-formylglutathione Hydrolase W197I Variant containing Copper | Descriptor: | COPPER (II) ION, S-formylglutathione hydrolase | Authors: | Legler, P.M, Millard, C.B. | Deposit date: | 2012-06-14 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif. Arch.Biochem.Biophys., 528, 2012
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4FMF
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3UIQ
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![BU of 3uiq by Molmil](/molmil-images/mine/3uiq) | RB69 DNA Polymerase Ternary Complex containing dUpNpp | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-11-05 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Bidentate and tridentate metal-ion coordination states within ternary complexes of RB69 DNA polymerase. Protein Sci., 21, 2012
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4FON
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3UJR
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![BU of 3ujr by Molmil](/molmil-images/mine/3ujr) | Asymmetric complex of human neuron specific enolase-5-PGA/PEP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | Deposit date: | 2011-11-08 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
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4FK8
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3UEW
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4FPW
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![BU of 4fpw by Molmil](/molmil-images/mine/4fpw) | Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural Genomics Consortium Target MiR12. | Descriptor: | CalU16 | Authors: | Seetharaman, J, Lew, S, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Phillips Jr, G.N, Kennedy, M.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-22 | Release date: | 2012-12-12 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19. Acs Chem.Biol., 9, 2014
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