4BZU
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![BU of 4bzu by Molmil](/molmil-images/mine/4bzu) | The Solution Structure of the MLN 944-d(TATGCATA)2 Complex | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | Authors: | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | Deposit date: | 2013-07-30 | Release date: | 2013-08-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended. Biopolymers, 101, 2014
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7UYR
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![BU of 7uyr by Molmil](/molmil-images/mine/7uyr) | Crystal structure of TYK2 kinase domain in complex with compound 12 | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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6WHC
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![BU of 6whc by Molmil](/molmil-images/mine/6whc) | CryoEM Structure of the glucagon receptor with a dual-agonist peptide | Descriptor: | Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Sexton, P, Danev, R. | Deposit date: | 2020-04-07 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide. J.Biol.Chem., 295, 2020
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6WLB
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![BU of 6wlb by Molmil](/molmil-images/mine/6wlb) | Structure of homotrimeric poplar cellulose synthase isoform 8 | Descriptor: | Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Zimmer, J, Pallinti, P, Ho, R. | Deposit date: | 2020-04-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Architecture of a catalytically active homotrimeric plant cellulose synthase complex. Science, 369, 2020
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5T7X
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![BU of 5t7x by Molmil](/molmil-images/mine/5t7x) | Crystal structure of HHV-4 EBNA1 DNA binding domain (patient-derived, nasopharyngeal carcinoma) bound to DNA | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*AP*GP*CP*CP*TP*AP*TP*GP*CP*TP*AP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*TP*AP*GP*CP*AP*TP*AP*GP*GP*CP*TP*AP*TP*CP*C)-3'), Epstein-Barr nuclear antigen 1 | Authors: | Malecka, K.A, Messick, T.E, Lieberman, P.M. | Deposit date: | 2016-09-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Carcinoma-risk variant of EBNA1 deregulates Epstein-Barr Virus episomal latency. Oncotarget, 8, 2017
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6WT6
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![BU of 6wt6 by Molmil](/molmil-images/mine/6wt6) | Structure of a metazoan TIR-STING receptor from C. gigas | Descriptor: | Metazoan TIR-STING fusion | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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7UYT
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![BU of 7uyt by Molmil](/molmil-images/mine/7uyt) | Crystal structure of TYK2 kinase domain in complex with compound 25 | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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7UYV
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![BU of 7uyv by Molmil](/molmil-images/mine/7uyv) | Crystal structure of JAK3 kinase domain in complex with compound 25 | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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4NJJ
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![BU of 4njj by Molmil](/molmil-images/mine/4njj) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Manganese(II) | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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7UYS
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![BU of 7uys by Molmil](/molmil-images/mine/7uys) | Crystal structure of TYK2 kinase domain in complex with compound 16 | Descriptor: | 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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4BSF
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![BU of 4bsf by Molmil](/molmil-images/mine/4bsf) | Human H7N9 Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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5E1I
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![BU of 5e1i by Molmil](/molmil-images/mine/5e1i) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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6TNO
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![BU of 6tno by Molmil](/molmil-images/mine/6tno) | Crystal structure of the human Arc N-lobe bound to stargazin | Descriptor: | Arc_C domain-containing protein, Chains: B,D,F | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | Deposit date: | 2019-12-09 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc. Biochem Biophys Rep, 26, 2021
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6H3E
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![BU of 6h3e by Molmil](/molmil-images/mine/6h3e) | Receptor-bound Ghrelin conformation | Descriptor: | Appetite-regulating hormone, octan-1-amine | Authors: | Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A. | Deposit date: | 2018-07-18 | Release date: | 2019-07-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DKI
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![BU of 5dki by Molmil](/molmil-images/mine/5dki) | Yeast 20S proteasome in complex with alkyne-PI | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Beck, P, Cui, H, Groll, M. | Deposit date: | 2015-09-03 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
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3MB4
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![BU of 3mb4 by Molmil](/molmil-images/mine/3mb4) | Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP | Descriptor: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, CHLORIDE ION, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-25 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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1YB9
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![BU of 1yb9 by Molmil](/molmil-images/mine/1yb9) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-[2-(N,N-dimethylaminooxy)ethyl] Thymidine (T*) | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2OT)P*AP*CP*GP*C)-3'), SPERMINE | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | Deposit date: | 2004-12-20 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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1PHS
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![BU of 1phs by Molmil](/molmil-images/mine/1phs) | THE THREE-DIMENSIONAL STRUCTURE OF THE SEED STORAGE PROTEIN PHASEOLIN AT 3 ANGSTROMS RESOLUTION | Descriptor: | PHASEOLIN, BETA-TYPE PRECURSOR | Authors: | Lawrence, M.C, Suzuki, E, Varghese, J.N, Davis, P.C, Vandonkelaar, A, Tulloch, P.A, Colman, P.M. | Deposit date: | 1990-03-21 | Release date: | 1990-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The three-dimensional structure of the seed storage protein phaseolin at 3 A resolution. EMBO J., 9, 1990
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4NR4
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![BU of 4nr4 by Molmil](/molmil-images/mine/4nr4) | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand TO BE PUBLISHED
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2KH0
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![BU of 2kh0 by Molmil](/molmil-images/mine/2kh0) | 2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-down orientation | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*TP*(3DR)P*TP*GP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3', 7-nitro-9H-fluoren-2-ol | Authors: | Dallmann, A, Pfaffe, M, Muegge, C, Mahrwald, R, Kovalenko, S.A, Ernsting, N.P. | Deposit date: | 2009-03-23 | Release date: | 2009-12-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Local THz Time Domain Spectroscopy of Duplex DNA via Fluorescence of an Embedded Probe J.Phys.Chem.B, 113, 2009
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4BSB
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![BU of 4bsb by Molmil](/molmil-images/mine/4bsb) | Human H7N9 Influenza Virus Haemagglutinin (with Asn-133 Glycosylation) in Complex with Human Receptor Analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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6X4G
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![BU of 6x4g by Molmil](/molmil-images/mine/6x4g) | Crystal structure of ICOS in complex with ICOS-L and an anti ICOS-L VNAR domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ICOS ligand, ... | Authors: | Rujas, E, Sicard, T, Julien, J.P. | Deposit date: | 2020-05-22 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies. Nat Commun, 11, 2020
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4BNJ
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![BU of 4bnj by Molmil](/molmil-images/mine/4bnj) | Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol | Descriptor: | 5-methyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4BUO
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![BU of 4buo by Molmil](/molmil-images/mine/4buo) | High Resolution Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | Descriptor: | GLYCINE, NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N | Authors: | Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A. | Deposit date: | 2013-06-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
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8IFY
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![BU of 8ify by Molmil](/molmil-images/mine/8ify) | Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 spike protein in complex with white-tailed deer ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Han, P, Meng, Y.M, Qi, J.X. | Deposit date: | 2023-02-20 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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