3L32
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4YWD
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![BU of 4ywd by Molmil](/molmil-images/mine/4ywd) | Structure of rat cytosolic pepck in complex with 2,3-Pyridine dicarboxylic acid | Descriptor: | MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ... | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
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5QSC
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![BU of 5qsc by Molmil](/molmil-images/mine/5qsc) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z300245038 | Descriptor: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4O1Y
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![BU of 4o1y by Molmil](/molmil-images/mine/4o1y) | Crystal structure of Porcine Pancreatic Phospholipase A2 in complex with 1-Naphthaleneacetic acid | Descriptor: | CALCIUM ION, NAPHTHALEN-1-YL-ACETIC ACID, Phospholipase A2, ... | Authors: | Dileep, K.V, Remya, C, Tintu, I, Mandal, P.K, Karthe, P, Haridas, M, Sadasivan, C. | Deposit date: | 2013-12-16 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Porcine Pancreatic Phospholipase A2 in complex with 1-Naphthaleneacetic acid To be published
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4FJ3
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4WUL
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5QSE
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![BU of 5qse by Molmil](/molmil-images/mine/5qse) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2017168803 | Descriptor: | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7T5Q
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![BU of 7t5q by Molmil](/molmil-images/mine/7t5q) | Cryo-EM Structure of a Transition State of Arp2/3 Complex Activation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Rebowski, G, van Eeuwen, T, Boczkowska, M, Dominguez, R. | Deposit date: | 2021-12-13 | Release date: | 2023-06-14 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of an Arp2/3 complex mini-branch capped by capping protein (CapZ) To Be Published
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5QSF
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![BU of 5qsf by Molmil](/molmil-images/mine/5qsf) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434814 | Descriptor: | 3-(diethylamino)phenol, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | PanDDA analysis group deposition To Be Published
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6POR
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![BU of 6por by Molmil](/molmil-images/mine/6por) | Antimicrobial lasso peptide ubonodin | Descriptor: | Ubonodin | Authors: | Link, A.J, Cheung-Lee, W.L. | Deposit date: | 2019-07-05 | Release date: | 2019-12-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery of Ubonodin, an Antimicrobial Lasso Peptide Active against Members of the Burkholderia cepacia Complex. Chembiochem, 21, 2020
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5NBL
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![BU of 5nbl by Molmil](/molmil-images/mine/5nbl) | Crystal structure of the Arp4-N-actin(APO-state) heterodimer bound by a nanobody | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
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5LUX
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![BU of 5lux by Molmil](/molmil-images/mine/5lux) | Homeobox transcription factor CDX1 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-12 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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4P2P
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![BU of 4p2p by Molmil](/molmil-images/mine/4p2p) | AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R. | Deposit date: | 1991-10-22 | Release date: | 1992-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution Acta Crystallogr.,Sect.B, 47, 1991
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5LTW
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![BU of 5ltw by Molmil](/molmil-images/mine/5ltw) | Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6, ... | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | Deposit date: | 2016-09-07 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure, 25, 2017
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5DC7
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![BU of 5dc7 by Molmil](/molmil-images/mine/5dc7) | Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | Deposit date: | 2015-08-23 | Release date: | 2016-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
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6PTL
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5OO0
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![BU of 5oo0 by Molmil](/molmil-images/mine/5oo0) | Cdk2(WT) covalent adduct with D28 at C177 | Descriptor: | Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2017-08-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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5NBN
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![BU of 5nbn by Molmil](/molmil-images/mine/5nbn) | Crystal structure of the Arp4-N-actin-Arp8-Ino80HSA module of INO80 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-like protein ARP8, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
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5NEV
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![BU of 5nev by Molmil](/molmil-images/mine/5nev) | CDK2/Cyclin A in complex with compound 73 | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | Deposit date: | 2017-03-12 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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4QTB
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![BU of 4qtb by Molmil](/molmil-images/mine/4qtb) | Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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5U8S
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![BU of 5u8s by Molmil](/molmil-images/mine/5u8s) | Structure of eukaryotic CMG helicase at a replication fork | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA (26-MER), ... | Authors: | Li, H, Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, O'Donnell, M.E. | Deposit date: | 2016-12-14 | Release date: | 2017-01-25 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (6.101 Å) | Cite: | Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ABW
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![BU of 5abw by Molmil](/molmil-images/mine/5abw) | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | Descriptor: | 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | von Nussbaum, F, Li, V.M, Schaefer, M. | Deposit date: | 2015-08-10 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg. Med. Chem. Lett., 25, 2015
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4WU4
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![BU of 4wu4 by Molmil](/molmil-images/mine/4wu4) | Crystal structure of E. faecalis DNA binding domain LiaRD191N complexed with 22bp DNA | Descriptor: | DNA (5'-D(P*AP*AP*AP*TP*CP*GP*TP*TP*CP*TP*TP*AP*AP*GP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*AP*AP*GP*AP*AP*CP*GP*AP*TP*TP*T)-3'), GLYCEROL, ... | Authors: | Davlieva, M, Shamoo, Y. | Deposit date: | 2014-10-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin. Nucleic Acids Res., 43, 2015
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5D1J
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4WVP
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![BU of 4wvp by Molmil](/molmil-images/mine/4wvp) | Crystal structure of an activity-based probe HNE complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BTN-3V3-NLB-OMT-OIC-3V2, ... | Authors: | Lechtenberg, B.C, Kasperkiewicz, P, Robinson, H.R, Drag, M, Riedl, S.J. | Deposit date: | 2014-11-06 | Release date: | 2015-02-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed. Acs Chem.Biol., 10, 2015
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