2MBC
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![BU of 2mbc by Molmil](/molmil-images/mine/2mbc) | Solution Structure of human holo-PRL-3 in complex with vanadate | Descriptor: | Protein tyrosine phosphatase type IVA 3 | Authors: | Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y. | Deposit date: | 2013-07-29 | Release date: | 2013-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3. Biochemistry, 53, 2014
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5KOZ
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![BU of 5koz by Molmil](/molmil-images/mine/5koz) | Structure function studies of R. palustris RubisCO (K192C mutant; CABP-bound) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Arbing, M.A, North, J.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2016-07-01 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure function studies of R. palustris RubisCO. To Be Published
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3OGI
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![BU of 3ogi by Molmil](/molmil-images/mine/3ogi) | Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP complex (Rv2346c-Rv2347c) | Descriptor: | Putative ESAT-6-like protein 6, Putative ESAT-6-like protein 7 | Authors: | Arbing, M.A, Chan, S, Zhou, T.T, Ahn, C, Harris, L, Kuo, E, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-08-16 | Release date: | 2010-08-25 | Last modified: | 2014-05-21 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions. Plos One, 8, 2013
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3UID
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![BU of 3uid by Molmil](/molmil-images/mine/3uid) | Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis | Descriptor: | Putative uncharacterized protein | Authors: | Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-11-04 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response. Acta Crystallogr F Struct Biol Commun, 72, 2016
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4GZR
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![BU of 4gzr by Molmil](/molmil-images/mine/4gzr) | Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP (Rv2346c-Rv2347c) complex in space group C2221 | Descriptor: | ESAT-6-like protein 6, ESAT-6-like protein 7, SULFATE ION | Authors: | Arbing, M.A, Chan, S, He, Q, Harris, L, Zhou, T.T, Kuo, E, Ahn, C.J, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | Deposit date: | 2012-09-06 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions. Plos One, 8, 2013
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4I0X
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![BU of 4i0x by Molmil](/molmil-images/mine/4i0x) | Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex | Descriptor: | BETA-MERCAPTOETHANOL, ESAT-6-like protein MAB_3112, ESAT-6-like protein MAB_3113, ... | Authors: | Arbing, M.A, Chan, S, Lu, J, Kuo, E, Harris, L, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-11-19 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions. Plos One, 8, 2013
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5HK4
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![BU of 5hk4 by Molmil](/molmil-images/mine/5hk4) | Structure function studies of R. palustris RubisCO (A47V-M331A mutant) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. | Deposit date: | 2016-01-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure function studies of R. palustris RubisCO. To Be Published
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5HQM
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![BU of 5hqm by Molmil](/molmil-images/mine/5hqm) | Structure function studies of R. palustris RubisCO (R. palustris/R. rubrum chimera) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, Tabita, F.R. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure function studies of R. palustris RubisCO. To Be Published
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2NCX
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2NCY
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![BU of 2ncy by Molmil](/molmil-images/mine/2ncy) | Solution structure of pseudin-2 analog (Ps-P) | Descriptor: | Pseudin-2 | Authors: | Jeon, D, Kim, J, Shin, A, Kim, Y. | Deposit date: | 2016-04-18 | Release date: | 2017-04-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Optimum Balance between the Cationicity and Structural Component for Bacterial Cell Selectivity and Anti-inflammatory activities of Pseudin-2 and its Analogs To be Published
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | Authors: | Collie, G.W, Ferguson, A.D. | Deposit date: | 2021-03-16 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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5JRF
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![BU of 5jrf by Molmil](/molmil-images/mine/5jrf) | Crystal structure of the light-driven sodium pump KR2 bound with iodide ions | Descriptor: | EICOSANE, IODIDE ION, Sodium pumping rhodopsin | Authors: | Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-06 | Release date: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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5JSI
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![BU of 5jsi by Molmil](/molmil-images/mine/5jsi) | Structure of membrane protein | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | Authors: | Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-08 | Release date: | 2017-05-31 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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8IMD
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![BU of 8imd by Molmil](/molmil-images/mine/8imd) | Crystal structure of Cu/Zn Superoxide dismutase from Paenibacillus lautus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Cu/Zn-Superoxide dismutase, ... | Authors: | Narikiyo, S, Furukawa, Y, Akutsu, M. | Deposit date: | 2023-03-06 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of a novel cysteine-less Cu/Zn-superoxide dismutase in Paenibacillus lautus missing a conserved disulfide bond. J.Biol.Chem., 299, 2023
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7AVB
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7AVA
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![BU of 7ava by Molmil](/molmil-images/mine/7ava) | |
6WI6
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![BU of 6wi6 by Molmil](/molmil-images/mine/6wi6) | Crystal structure of plantacyclin B21AG | Descriptor: | MALONATE ION, Plantacyclin B21AG | Authors: | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | Deposit date: | 2020-04-08 | Release date: | 2021-01-06 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity. Sci Rep, 10, 2020
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1GAI
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![BU of 1gai by Molmil](/molmil-images/mine/1gai) | GLUCOAMYLASE-471 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE | Descriptor: | 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | Authors: | Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B. | Deposit date: | 1996-03-06 | Release date: | 1996-08-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism. Biochemistry, 35, 1996
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1GAH
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![BU of 1gah by Molmil](/molmil-images/mine/1gah) | GLUCOAMYLASE-471 COMPLEXED WITH ACARBOSE | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | Authors: | Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B. | Deposit date: | 1996-03-06 | Release date: | 1996-08-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism. Biochemistry, 35, 1996
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8AMO
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![BU of 8amo by Molmil](/molmil-images/mine/8amo) | Crystal structure of M. tuberculosis CYP143 | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2022-08-03 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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8AMQ
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![BU of 8amq by Molmil](/molmil-images/mine/8amq) | Crystal structure of the complex CYP143-FdxE from M. tuberculosis | Descriptor: | FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2022-08-03 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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7ZB9
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![BU of 7zb9 by Molmil](/molmil-images/mine/7zb9) | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo) | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, MAGNESIUM ION, ... | Authors: | Bukhdruker, S, Varaksa, T, Marin, E, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2022-03-23 | Release date: | 2023-01-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural insights into the effects of glycerol on ligand binding to cytochrome P450. Acta Crystallogr D Struct Biol, 79, 2023
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8PKY
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8PM1
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6T0L
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![BU of 6t0l by Molmil](/molmil-images/mine/6t0l) | Crystal structure of CYP124 in complex with inhibitor compound 5' | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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