4WT6
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3PMX
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![BU of 3pmx by Molmil](/molmil-images/mine/3pmx) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ... | Authors: | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure based evolution of a novel series of positive modulators of the AMPA receptor. Bioorg.Med.Chem.Lett., 21, 2011
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6XRF
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![BU of 6xrf by Molmil](/molmil-images/mine/6xrf) | EagT6 Tse6 NT complex | Descriptor: | Effector EagT6, PAAR motif family protein | Authors: | Sachar, K, Ahmad, S, Whitney, J.C, Prehna, G. | Deposit date: | 2020-07-12 | Release date: | 2020-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones. Elife, 9, 2020
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6BWU
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![BU of 6bwu by Molmil](/molmil-images/mine/6bwu) | Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | Descriptor: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | Deposit date: | 2017-12-15 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells. Mol. Pharm., 15, 2018
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6LKA
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![BU of 6lka by Molmil](/molmil-images/mine/6lka) | Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds | Descriptor: | 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H. | Deposit date: | 2019-12-18 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent. Bioorg.Med.Chem., 28, 2020
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6XCH
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6M2V
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![BU of 6m2v by Molmil](/molmil-images/mine/6m2v) | Crystal structure of UHRF1 SRA complexed with fully-mCHG DNA. | Descriptor: | DNA (5'-D(*TP*CP*AP*CP*GP*(5CM)P*TP*GP*CP*GP*TP*GP*A)-3'), E3 ubiquitin-protein ligase UHRF1 | Authors: | Abhishek, S, Nakarakanti, N.K, Deeksha, W, Rajakumara, E. | Deposit date: | 2020-03-01 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanistic insights into recognition of symmetric methylated cytosines in CpG and non-CpG DNA by UHRF1 SRA. Int.J.Biol.Macromol., 170, 2021
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3SXD
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![BU of 3sxd by Molmil](/molmil-images/mine/3sxd) | Crystal structure of BBBB+UDP+Gal with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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3SZ5
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![BU of 3sz5 by Molmil](/molmil-images/mine/3sz5) | Crystal Structure of LHK-Exo in complex with 5-phosphorylated oligothymidine (dT)4 | Descriptor: | 5'-D(P*TP*TP*TP*T)-3', Exonuclease, MAGNESIUM ION | Authors: | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | Deposit date: | 2011-07-18 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis. Nucleic Acids Res., 39, 2011
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6M8N
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![BU of 6m8n by Molmil](/molmil-images/mine/6m8n) | Endo-fucoidan hydrolase P5AFcnA from glycoside hydrolase family 107 | Descriptor: | CALCIUM ION, MALONATE ION, P5AFcnA | Authors: | Boraston, A.B, Vickers, C.J, Abe, K, Salama-Alber, O. | Deposit date: | 2018-08-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29. J. Biol. Chem., 293, 2018
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3S69
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![BU of 3s69 by Molmil](/molmil-images/mine/3s69) | Crystal structure of saxthrombin | Descriptor: | CALCIUM ION, Thrombin-like enzyme defibrase | Authors: | Huang, K, Zhao, W, Teng, M, Niu, L. | Deposit date: | 2011-05-25 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structure of saxthrombin, a thrombin-like enzyme from Gloydius saxatilis. Acta Crystallogr.,Sect.F, 67, 2011
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3SH7
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![BU of 3sh7 by Molmil](/molmil-images/mine/3sh7) | Crystal structure of fluorophore-labeled beta-lactamase PenP | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase | Authors: | Wong, W.-T, Zhao, Y.-X, Leung, Y.-C. | Deposit date: | 2011-06-16 | Release date: | 2011-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics J.Biol.Chem., 286, 2011
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3S6W
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![BU of 3s6w by Molmil](/molmil-images/mine/3s6w) | Crystal structure of Tudor domain of human TDRD3 | Descriptor: | ISOPROPYL ALCOHOL, Tudor domain-containing protein 3 | Authors: | Liu, H.P, Xu, R.M. | Deposit date: | 2011-05-26 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of TDRD3 and methyl-arginine binding characterization of TDRD3, SMN and SPF30 Plos One, 7, 2012
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3S7H
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![BU of 3s7h by Molmil](/molmil-images/mine/3s7h) | Structure of thrombin mutant Y225P in the E* form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | Deposit date: | 2011-05-26 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3SBE
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![BU of 3sbe by Molmil](/molmil-images/mine/3sbe) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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6NAF
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![BU of 6naf by Molmil](/molmil-images/mine/6naf) | De novo designed homo-trimeric amantadine-binding protein | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | Authors: | Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION | Cite: | De novo design of a homo-trimeric amantadine-binding protein. Elife, 8, 2019
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3RXS
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![BU of 3rxs by Molmil](/molmil-images/mine/3rxs) | Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXE
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![BU of 3rxe by Molmil](/molmil-images/mine/3rxe) | Crystal structure of Trypsin complexed with benzamide | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXR
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![BU of 3rxr by Molmil](/molmil-images/mine/3rxr) | Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RYD
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![BU of 3ryd by Molmil](/molmil-images/mine/3ryd) | Crystal structure of Ca bound IMPase family protein from Staphylococcus aureus | Descriptor: | CALCIUM ION, Inositol monophosphatase family protein, POTASSIUM ION, ... | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | Deposit date: | 2011-05-11 | Release date: | 2012-01-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity Biochimie, 94, 2012
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6NEE
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3S7K
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![BU of 3s7k by Molmil](/molmil-images/mine/3s7k) | Structure of thrombin mutant Y225P in the E form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | Deposit date: | 2011-05-26 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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6ZLI
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![BU of 6zli by Molmil](/molmil-images/mine/6zli) | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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3SH9
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![BU of 3sh9 by Molmil](/molmil-images/mine/3sh9) | Crystal structure of fluorophore-labeled beta-lactamase PenP in complex with cefotaxime | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase, CEFOTAXIME, ... | Authors: | Wong, W.-T, Zhao, Y.-X, Leung, Y.-C. | Deposit date: | 2011-06-16 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics J.Biol.Chem., 286, 2011
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6ML7
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![BU of 6ml7 by Molmil](/molmil-images/mine/6ml7) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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