6ZTU
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7ZWW
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![BU of 7zww by Molmil](/molmil-images/mine/7zww) | Crystal structure of human BCL6 BTB domain in complex with compound 18 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one, B-cell lymphoma 6 protein | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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2L6S
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![BU of 2l6s by Molmil](/molmil-images/mine/2l6s) | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | Descriptor: | VIR-576 | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | Deposit date: | 2010-11-24 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide. Sci Transl Med, 2, 2010
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5LNZ
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![BU of 5lnz by Molmil](/molmil-images/mine/5lnz) | HSP90 WITH indazole derivative | Descriptor: | Heat shock protein HSP 90-alpha, ~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide | Authors: | Graedler, U, Amaral, M, Schuetz, D. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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7ZWT
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![BU of 7zwt by Molmil](/molmil-images/mine/7zwt) | Crystal structure of human BCL6 BTB domain in complex with compound 14 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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6R7X
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![BU of 6r7x by Molmil](/molmil-images/mine/6r7x) | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (2mM Ca2+, closed form) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-10, CALCIUM ION, ... | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Baronina, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-29 | Release date: | 2019-05-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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5LOZ
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![BU of 5loz by Molmil](/molmil-images/mine/5loz) | STRUCTURE OF YEAST ENT1 ENTH DOMAIN | Descriptor: | Epsin-1 | Authors: | Tanner, N, Prag, G. | Deposit date: | 2016-08-11 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A bacterial genetic selection system for ubiquitylation cascade discovery. Nat.Methods, 13, 2016
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6GYZ
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8UKW
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7A19
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6R6N
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6CPU
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![BU of 6cpu by Molmil](/molmil-images/mine/6cpu) | Crystal structure of yeast caPDE2 | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Ke, H, Wang, y. | Deposit date: | 2018-03-14 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions. Biochemistry, 57, 2018
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6GEB
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6FNS
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5LLZ
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5LMC
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![BU of 5lmc by Molmil](/molmil-images/mine/5lmc) | Oxidized flavodiiron core of Escherichia coli flavorubredoxin, including the Fe-4SG atoms from its rubredoxin domain | Descriptor: | ACETIC ACID, Anaerobic nitric oxide reductase flavorubredoxin, CACODYLATE ION, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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6FYF
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![BU of 6fyf by Molmil](/molmil-images/mine/6fyf) | The crystal structure of EncM V135M mutant | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | Authors: | Saleem-Batcha, R, Teufel, R. | Deposit date: | 2018-03-11 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enzymatic control of dioxygen binding and functionalization of the flavin cofactor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6R2D
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![BU of 6r2d by Molmil](/molmil-images/mine/6r2d) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester, followed by temperature increase | Descriptor: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2019-03-15 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6CCR
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![BU of 6ccr by Molmil](/molmil-images/mine/6ccr) | Selenomethionyl derivative of a GID4 fragment | Descriptor: | Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-07 | Release date: | 2018-04-04 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway. Nat. Chem. Biol., 14, 2018
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6R2C
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![BU of 6r2c by Molmil](/molmil-images/mine/6r2c) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP) | Descriptor: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2019-03-15 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R2B
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![BU of 6r2b by Molmil](/molmil-images/mine/6r2b) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate | Descriptor: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2019-03-15 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts. J.Struct.Biol., 208, 2019
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6R6M
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6DCQ
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![BU of 6dcq by Molmil](/molmil-images/mine/6dcq) | Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rantalainen, K. | Deposit date: | 2018-05-08 | Release date: | 2018-06-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design. Cell Rep, 23, 2018
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5JT8
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![BU of 5jt8 by Molmil](/molmil-images/mine/5jt8) | Structural basis for the limited antibody cross reactivity between the mite allergens Blo t 1 and Der p 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Blo t 1 allergen, ... | Authors: | Meno, K, Kastrup, J.S, Gajhede, M. | Deposit date: | 2016-05-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of the mite allergen Blo t 1 explains the limited antibody cross-reactivity to Der p 1. Allergy, 72, 2017
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6GEF
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