6KY7
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![BU of 6ky7 by Molmil](/molmil-images/mine/6ky7) | Crystal structure of yak lactoperoxidase at 2.27 A resolution | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, P.K, Viswanathan, V, Sharma, P, Rani, C, Sharma, S, Singh, T.P. | Deposit date: | 2019-09-16 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of yak lactoperoxidase at 2.27 A resolution To Be Published
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4Z19
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7NLO
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![BU of 7nlo by Molmil](/molmil-images/mine/7nlo) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-arginine | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ARGININE, ... | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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6TV0
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![BU of 6tv0 by Molmil](/molmil-images/mine/6tv0) | Serratia spp. cyanase hydratase | Descriptor: | Cyanate hydratase, GLYCEROL, OXALIC ACID | Authors: | Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M. | Deposit date: | 2020-01-08 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen. Acta Crystallogr.,Sect.F, 76, 2020
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7NN1
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![BU of 7nn1 by Molmil](/molmil-images/mine/7nn1) | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate | Descriptor: | Acetylornithine aminotransferase, NITRATE ION | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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5ZWT
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7NLZ
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![BU of 7nlz by Molmil](/molmil-images/mine/7nlz) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 5-Methoxy-6-(trifluoromethyl)indole. | Descriptor: | 5-methoxy-6-(trifluoromethyl)-1~{H}-indole, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.163 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7RWN
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![BU of 7rwn by Molmil](/molmil-images/mine/7rwn) | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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6TVS
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![BU of 6tvs by Molmil](/molmil-images/mine/6tvs) | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-10 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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4Z5Y
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6U1C
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7RUQ
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![BU of 7ruq by Molmil](/molmil-images/mine/7ruq) | Structure of the human GIGYF1-TNRC6C complex | Descriptor: | GRB10-interacting GYF protein 1, Trinucleotide repeat-containing gene 6C protein | Authors: | Sobti, M, Mead, B.J, Igreja, C, Stewart, A.G, Christie, M. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Molecular basis for GIGYF-TNRC6 complex assembly. Rna, 29, 2023
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7NPJ
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![BU of 7npj by Molmil](/molmil-images/mine/7npj) | Crystal structure of Mycobacterium tuberculosis ArgC in complex with 6-phenoxy-3-pyridinamine | Descriptor: | 6-phenoxy-3-pyridinamine, N-acetyl-gamma-glutamyl-phosphate reductase | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | Deposit date: | 2021-02-27 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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8OWO
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![BU of 8owo by Molmil](/molmil-images/mine/8owo) | SMYD3 in complex with fragment FL01507 | Descriptor: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2023-04-28 | Release date: | 2023-08-30 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening. Rsc Med Chem, 15, 2024
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7SKU
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![BU of 7sku by Molmil](/molmil-images/mine/7sku) | Nipah virus matrix protein in complex with PI(4,5)P2 | Descriptor: | Matrix protein, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Norris, M.J, Saphire, E.O. | Deposit date: | 2021-10-21 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization. Sci Adv, 8, 2022
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4Z67
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7NNC
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![BU of 7nnc by Molmil](/molmil-images/mine/7nnc) | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal-5'-phosphate and 6-Methoxyquinoline-3-carboxylic acid | Descriptor: | 6-methoxyquinoline-3-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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4Z1M
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![BU of 4z1m by Molmil](/molmil-images/mine/4z1m) | Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
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6OF8
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![BU of 6of8 by Molmil](/molmil-images/mine/6of8) | Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CamKII-alpha hub domain | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, POTASSIUM ION | Authors: | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | Deposit date: | 2019-03-28 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Variation in assembly stoichiometry in non-metazoan homologs of the hub domain of Ca2+/calmodulin-dependent protein kinase II. Protein Sci., 28, 2019
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7RV5
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7N7I
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![BU of 7n7i by Molmil](/molmil-images/mine/7n7i) | X-ray crystal structure of Viperin-like enzyme from Trichoderma virens | Descriptor: | IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G. | Deposit date: | 2021-06-10 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life. Biochemistry, 60, 2021
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6TWA
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![BU of 6twa by Molmil](/molmil-images/mine/6twa) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-12 | Release date: | 2020-02-19 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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7NP0
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![BU of 7np0 by Molmil](/molmil-images/mine/7np0) | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7SKS
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8OTN
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![BU of 8otn by Molmil](/molmil-images/mine/8otn) | structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | Deposit date: | 2023-04-21 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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