5CAD
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![BU of 5cad by Molmil](/molmil-images/mine/5cad) | Crystal structure of the vicilin from Solanum melongena revealed existence of different anionic ligands in structurally similar pockets | Descriptor: | ACETATE ION, MAGNESIUM ION, PYROGLUTAMIC ACID, ... | Authors: | Jain, A, Kumar, A, Salunke, D.M. | Deposit date: | 2015-06-29 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of the vicilin from Solanum melongena reveals existence of different anionic ligands in structurally similar pockets Sci Rep, 6, 2016
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5HM9
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![BU of 5hm9 by Molmil](/molmil-images/mine/5hm9) | Crystal structure of MamO protease domain from Magnetospirillum magneticum (apo form) | Descriptor: | MamO protease domain, poly(UNK) | Authors: | Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A. | Deposit date: | 2016-01-15 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria. Plos Biol., 14, 2016
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5HMA
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![BU of 5hma by Molmil](/molmil-images/mine/5hma) | Crystal structure of MamO protease domain from Magnetospirillum magneticum (Ni bound form) | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Trypsin-like serine protease, ... | Authors: | Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A. | Deposit date: | 2016-01-15 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria. Plos Biol., 14, 2016
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5HI2
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![BU of 5hi2 by Molmil](/molmil-images/mine/5hi2) | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5MVA
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![BU of 5mva by Molmil](/molmil-images/mine/5mva) | |
5MP7
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![BU of 5mp7 by Molmil](/molmil-images/mine/5mp7) | Crystal structure of phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis | Descriptor: | ACETATE ION, Ribose-phosphate pyrophosphokinase | Authors: | Donini, S, Garavaglia, S, Ferraris, D.M, Miggiano, R, Mori, S, Shibayama, K, Rizzi, M. | Deposit date: | 2016-12-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and structural investigations on phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis. PLoS ONE, 12, 2017
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4ZJ8
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![BU of 4zj8 by Molmil](/molmil-images/mine/4zj8) | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | Descriptor: | OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, human OX1R fusion protein to P.abysii glycogen synthase | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P, Renger, J.J, Rosenbaum, D.M. | Deposit date: | 2015-04-29 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Nat.Struct.Mol.Biol., 23, 2016
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5LQF
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![BU of 5lqf by Molmil](/molmil-images/mine/5lqf) | CDK1/CyclinB1/CKS2 in complex with NU6102 | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | Deposit date: | 2016-08-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 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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5JLT
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![BU of 5jlt by Molmil](/molmil-images/mine/5jlt) | The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA | Authors: | Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W. | Deposit date: | 2016-04-27 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA. Nucleic Acids Res., 46, 2018
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5M0T
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![BU of 5m0t by Molmil](/molmil-images/mine/5m0t) | Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ... | Authors: | Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2016-10-05 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis. Chem. Commun. (Camb.), 52, 2016
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6G57
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![BU of 6g57 by Molmil](/molmil-images/mine/6g57) | Structure of the H1 domain of human KCTD8 | Descriptor: | BTB/POZ domain-containing protein KCTD8 | Authors: | Pinkas, D.M, Bufton, J.C, Strain-Damerell, C.M, Fairhead, M, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-03-29 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the H1 domain of human KCTD8 To Be Published
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5B0V
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![BU of 5b0v by Molmil](/molmil-images/mine/5b0v) | Crystal Structure of Marburg virus VP40 Dimer | Descriptor: | ETHANOL, Matrix protein VP40 | Authors: | Oda, S, Bornholdt, Z.A, Abelson, D.M, Saphire, E.O. | Deposit date: | 2015-11-05 | Release date: | 2016-01-20 | Last modified: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structure of Marburg Virus VP40 Reveals a Broad, Basic Patch for Matrix Assembly and a Requirement of the N-Terminal Domain for Immunosuppression J.Virol., 90, 2015
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5IXA
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![BU of 5ixa by Molmil](/molmil-images/mine/5ixa) | |
5JTH
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![BU of 5jth by Molmil](/molmil-images/mine/5jth) | Crystal structure of E67A calmodulin - CaM:RM20 analog complex | Descriptor: | CALCIUM ION, Calmodulin, Myosin light chain kinase, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2016-05-09 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of E67A calmodulin - CaM:RM20 analog complex To Be Published
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5JQA
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![BU of 5jqa by Molmil](/molmil-images/mine/5jqa) | CaM:RM20 complex | Descriptor: | CALCIUM ION, Calmodulin, Myosin light chain kinase, ... | Authors: | Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2016-05-04 | Release date: | 2017-10-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CaM:RM20 complex To be Published
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6F9J
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![BU of 6f9j by Molmil](/molmil-images/mine/6f9j) | Crystal structure of Barley Beta-Amylase complexed with 4-O-alpha-D-mannopyranosyl-(1-deoxynojirimycin) | Descriptor: | 1-DEOXYNOJIRIMYCIN, Beta-amylase, CHLORIDE ION, ... | Authors: | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2017-12-14 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination To be published
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5K86
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![BU of 5k86 by Molmil](/molmil-images/mine/5k86) | |
6GGY
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![BU of 6ggy by Molmil](/molmil-images/mine/6ggy) | Paenibacillus sp. YM1 laminaribiose phosphorylase with sulphate bound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Laminaribiose phosphorylase, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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4ZTH
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![BU of 4zth by Molmil](/molmil-images/mine/4zth) | Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Roy, S.M, Watterson, D.M. | Deposit date: | 2015-05-14 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4ZTA
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![BU of 4zta by Molmil](/molmil-images/mine/4zta) | |
5KP9
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![BU of 5kp9 by Molmil](/molmil-images/mine/5kp9) | Structure of Nanoparticle Released from Enveloped Protein Nanoparticle | Descriptor: | EPN-01* | Authors: | Votteler, J, Ogohara, C, Yi, S, Hsia, Y, Natterman, U, Belnap, D.M, King, N.P, Sundquist, W.I. | Deposit date: | 2016-07-02 | Release date: | 2016-12-07 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Designed proteins induce the formation of nanocage-containing extracellular vesicles. Nature, 540, 2016
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5MVY
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![BU of 5mvy by Molmil](/molmil-images/mine/5mvy) | Thin Filament at low calcium concentration | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | Authors: | Paul, D.M, Squire, J.M, Morris, E.P. | Deposit date: | 2017-01-17 | Release date: | 2018-02-14 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (28.4 Å) | Cite: | Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism. J. Struct. Biol., 197, 2017
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5CPS
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![BU of 5cps by Molmil](/molmil-images/mine/5cps) | Disproportionating enzyme 1 from Arabidopsis - maltotriose soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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6ES0
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![BU of 6es0 by Molmil](/molmil-images/mine/6es0) | Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 | Descriptor: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N. | Deposit date: | 2017-10-19 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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5CPQ
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![BU of 5cpq by Molmil](/molmil-images/mine/5cpq) | Disproportionating enzyme 1 from Arabidopsis - apo form | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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