7NRZ
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![BU of 7nrz by Molmil](/molmil-images/mine/7nrz) | Crystal structure of malate dehydrogenase from Trypanosoma cruzi | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sonani, R.R, Kurpiewska, K, Lewinski, K, Dubin, G. | Deposit date: | 2021-03-04 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Distinct sequence and structural feature of trypanosoma malate dehydrogenase. Biochem.Biophys.Res.Commun., 557, 2021
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6JIX
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![BU of 6jix by Molmil](/molmil-images/mine/6jix) | The cyrstal structure of taurine:2-oxoglutarate aminotransferase from Bifidobacterium kashiwanohense, in complex with PLP and glutamate | Descriptor: | GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE, taurine:2-oxoglutarate aminotransferase | Authors: | Li, M, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2019-02-23 | Release date: | 2020-01-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Biochemical and structural investigation of taurine:2-oxoglutarate aminotransferase fromBifidobacterium kashiwanohense. Biochem.J., 476, 2019
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7SS8
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![BU of 7ss8 by Molmil](/molmil-images/mine/7ss8) | Human P300 complexed with a proline-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ... | Authors: | Shewchuk, L.M, Reid, R.A. | Deposit date: | 2021-11-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening. J.Med.Chem., 65, 2022
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8V24
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![BU of 8v24 by Molmil](/molmil-images/mine/8v24) | LapB cytoplasmic domain in complex with LpxC | Descriptor: | ACETATE ION, Lipopolysaccharide assembly protein B, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mi, W, Shu, S. | Deposit date: | 2023-11-21 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Dual function of LapB (YciM) in regulating Escherichia coli lipopolysaccharide synthesis. Proc.Natl.Acad.Sci.USA, 121, 2024
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8VHC
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![BU of 8vhc by Molmil](/molmil-images/mine/8vhc) | Crystal Structure of Human IDH1 R132Q in complex with NADPH | Descriptor: | GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8UUB
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![BU of 8uub by Molmil](/molmil-images/mine/8uub) | Structure of hypothiocyanous acid reductase (Har) from Streptococcus pneumoniae | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Oxidoreductase, ... | Authors: | Shearer, H.L, Currie, M.J, Dickerhof, N, Dobson, R.C.J. | Deposit date: | 2023-10-31 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hypothiocyanous acid reductase is critical for host colonization and infection by Streptococcus pneumoniae. J.Biol.Chem., 300, 2024
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8U7Y
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![BU of 8u7y by Molmil](/molmil-images/mine/8u7y) | |
8VHA
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![BU of 8vha by Molmil](/molmil-images/mine/8vha) | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate | Descriptor: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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7NVP
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![BU of 7nvp by Molmil](/molmil-images/mine/7nvp) | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | Deposit date: | 2021-03-15 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach. Acs Infect Dis., 8, 2022
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8VHE
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![BU of 8vhe by Molmil](/molmil-images/mine/8vhe) | Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct | Descriptor: | 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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7NWV
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![BU of 7nwv by Molmil](/molmil-images/mine/7nwv) | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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8VH9
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![BU of 8vh9 by Molmil](/molmil-images/mine/8vh9) | Crystal Structure of Human IDH1 R132Q in complex with NADPH | Descriptor: | CITRIC ACID, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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7TEF
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![BU of 7tef by Molmil](/molmil-images/mine/7tef) | Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mohamed, H.A, Bruning, J.B, Bell, S.G. | Deposit date: | 2022-01-04 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis. J.Steroid Biochem.Mol.Biol., 221, 2022
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8VHD
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![BU of 8vhd by Molmil](/molmil-images/mine/8vhd) | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Isocitrate | Descriptor: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8VHB
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![BU of 8vhb by Molmil](/molmil-images/mine/8vhb) | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate | Descriptor: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ... | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | Deposit date: | 2023-12-31 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun, 15, 2024
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8U86
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8UY2
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![BU of 8uy2 by Molmil](/molmil-images/mine/8uy2) | Methylenetetrahydrofolate reductase from Chaetomium thermophilum DSM 1495, AdoMet-bound, Inhibited (T) State | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Yamada, K, Mendoza, J, Koutmos, M. | Deposit date: | 2023-11-12 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structural basis of S-adenosylmethionine-dependent allosteric transition from active to inactive states in methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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7T8J
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![BU of 7t8j by Molmil](/molmil-images/mine/7t8j) | The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a GSGG linker | Descriptor: | CHLORIDE ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | Authors: | Soleimani, S, Pedroza Romo, M.J, Smith, T, Brown, S, Doukov, T, Moody, J.D. | Deposit date: | 2021-12-16 | Release date: | 2022-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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7T5C
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![BU of 7t5c by Molmil](/molmil-images/mine/7t5c) | |
7T5E
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![BU of 7t5e by Molmil](/molmil-images/mine/7t5e) | |
7T5D
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![BU of 7t5d by Molmil](/molmil-images/mine/7t5d) | |
7TDY
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![BU of 7tdy by Molmil](/molmil-images/mine/7tdy) | The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration | Descriptor: | FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | Authors: | Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D. | Deposit date: | 2022-01-03 | Release date: | 2023-01-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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7TCY
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![BU of 7tcy by Molmil](/molmil-images/mine/7tcy) | The ubiquitin-associated domain of human thirty-eight negative kinase I | Descriptor: | CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D. | Deposit date: | 2021-12-29 | Release date: | 2023-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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7TC7
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![BU of 7tc7 by Molmil](/molmil-images/mine/7tc7) | Cryo-EM structure of methane monooxygenase hydroxylase (by quantifoil) | Descriptor: | FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Cho, U.S, Kim, B.C. | Deposit date: | 2021-12-23 | Release date: | 2023-01-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Batch Production of High-Quality Graphene Grids for Cryo-EM: Cryo-EM Structure of Methylococcus capsulatus Soluble Methane Monooxygenase Hydroxylase. Acs Nano, 17, 2023
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7TC8
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![BU of 7tc8 by Molmil](/molmil-images/mine/7tc8) | Cryo-EM structure of methane monooxygenase hydroxylase (by graphene) | Descriptor: | FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | Authors: | Cho, U.S, Kim, B.C. | Deposit date: | 2021-12-23 | Release date: | 2023-01-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Batch Production of High-Quality Graphene Grids for Cryo-EM: Cryo-EM Structure of Methylococcus capsulatus Soluble Methane Monooxygenase Hydroxylase. Acs Nano, 17, 2023
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