6R2W
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![BU of 6r2w by Molmil](/molmil-images/mine/6r2w) | Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor | Descriptor: | CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2019-03-19 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa. J.Biol.Chem., 295, 2020
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8SVD
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6R3M
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![BU of 6r3m by Molmil](/molmil-images/mine/6r3m) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | ACETATE ION, CALCIUM ION, Endoglucanase H, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-20 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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8DZD
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5M41
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![BU of 5m41 by Molmil](/molmil-images/mine/5m41) | Crystal structure of nigritoxine | Descriptor: | MAGNESIUM ION, Nigritoxine | Authors: | Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F. | Deposit date: | 2016-10-17 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nigritoxin is a bacterial toxin for crustaceans and insects. Nat Commun, 8, 2017
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6EM0
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![BU of 6em0 by Molmil](/molmil-images/mine/6em0) | Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase M321A from Pseudomonas azelaica | Descriptor: | 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Deri, B, Bregman-Cohen, A, Pazy Benhar, Y, Fishman, A. | Deposit date: | 2017-10-01 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Altering 2-Hydroxybiphenyl 3-Monooxygenase Regioselectivity by Protein Engineering for the Production of a New Antioxidant. Chembiochem, 19, 2018
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5LCE
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![BU of 5lce by Molmil](/molmil-images/mine/5lce) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2016-06-21 | Release date: | 2017-07-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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6UBL
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![BU of 6ubl by Molmil](/molmil-images/mine/6ubl) | Structure of DynF from the Dynemicin Biosynthesis Pathway of Micromonospora chersina | Descriptor: | DynF, PALMITIC ACID | Authors: | Kosgei, A.J, Miller, M.D, Xu, W, Bhardwaj, M, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-09-12 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina. Acta Crystallogr.,Sect.F, 78, 2022
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5LHZ
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6U1I
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![BU of 6u1i by Molmil](/molmil-images/mine/6u1i) | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Bruning, J.B, Thompson, A.P. | Deposit date: | 2019-08-15 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
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5LI8
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![BU of 5li8 by Molmil](/molmil-images/mine/5li8) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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7PNH
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6R6Y
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![BU of 6r6y by Molmil](/molmil-images/mine/6r6y) | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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4XCN
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![BU of 4xcn by Molmil](/molmil-images/mine/4xcn) | Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA); 2.9 A resolution | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ... | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2014-12-18 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity, 44, 2016
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8BV8
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![BU of 8bv8 by Molmil](/molmil-images/mine/8bv8) | Crystal structure of the phage Mu protein Mom inactive mutant S124A | Descriptor: | Methylcarbamoylase mom | Authors: | Silva, R.M.B, Slyvka, A, Lee, Y.J, Guan, C, Lund, S.R, Raleigh, E.A, Skowronek, K, Bochtler, M, Weigele, P.R. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of the phage Mu protein Mom catalytic mutant S124A To Be Published
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6EPK
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![BU of 6epk by Molmil](/molmil-images/mine/6epk) | CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | Authors: | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | Deposit date: | 2017-10-11 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex Mbio, 2023
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5IFK
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![BU of 5ifk by Molmil](/molmil-images/mine/5ifk) | Purine nucleoside phosphorylase | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | Authors: | Thakur, K.G, Priyanka, A. | Deposit date: | 2016-02-26 | Release date: | 2017-03-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Functional and Structural Characterization of Purine Nucleoside Phosphorylase from Kluyveromyces lactis and Its Potential Applications in Reducing Purine Content in Food PLoS ONE, 11, 2016
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7SBU
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6OJH
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![BU of 6ojh by Molmil](/molmil-images/mine/6ojh) | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine | Descriptor: | 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ... | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | Deposit date: | 2019-04-11 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine To Be Published
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7N67
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![BU of 7n67 by Molmil](/molmil-images/mine/7n67) | Crystal structure of HCAN_0198, a 3,4-ketoisomerase from Helicobacter canadensis | Descriptor: | FdtA domain-containing protein, TETRAMETHYLAMMONIUM ION, THYMIDINE-5'-DIPHOSPHATE | Authors: | Heisdorf, C.J, Griffiths, W.A, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-07 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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6ERJ
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![BU of 6erj by Molmil](/molmil-images/mine/6erj) | Self-complemented FimA subunit from Salmonella enterica | Descriptor: | ACETIC ACID, Type-1 fimbrial protein, a chain | Authors: | Zyla, D.S, Prota, A, Capitani, G, Glockshuber, R. | Deposit date: | 2017-10-18 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria. J.Biol.Chem., 294, 2019
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4XN2
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7S6N
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![BU of 7s6n by Molmil](/molmil-images/mine/7s6n) | N-acetylglucosamine-1-phosphotransferase (GNPT) alpha and beta subunits (GNPTAB) catalytic domain, from zebrafish | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2021-09-14 | Release date: | 2022-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of the mannose-6-phosphate pathway enzyme, GlcNAc-1-phosphotransferase. Proc.Natl.Acad.Sci.USA, 119, 2022
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6MCR
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![BU of 6mcr by Molmil](/molmil-images/mine/6mcr) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease | Authors: | Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2018-09-02 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants. Antimicrob.Agents Chemother., 63, 2019
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6XQO
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![BU of 6xqo by Molmil](/molmil-images/mine/6xqo) | Structure of the human MICU1-MICU2 heterodimer, calcium bound, in association with a lipid nanodisc | Descriptor: | CALCIUM ION, Calcium uptake protein 1, mitochondrial, ... | Authors: | Long, S.B, Wang, C, Baradaran, R, Jacewicz, A, Delgado, B. | Deposit date: | 2020-07-09 | Release date: | 2020-07-29 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures reveal gatekeeping of the mitochondrial Ca 2+ uniporter by MICU1-MICU2. Elife, 9, 2020
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