6NP3
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![BU of 6np3 by Molmil](/molmil-images/mine/6np3) | AAC-VIa bound to Gentamicin | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NP5
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![BU of 6np5 by Molmil](/molmil-images/mine/6np5) | AAC-VIa bound to Kanamycin B | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NP2
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![BU of 6np2 by Molmil](/molmil-images/mine/6np2) | AAC-VIa bound to Sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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5E5L
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![BU of 5e5l by Molmil](/molmil-images/mine/5e5l) | |
5DVP
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![BU of 5dvp by Molmil](/molmil-images/mine/5dvp) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2015-09-21 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E33
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![BU of 5e33 by Molmil](/molmil-images/mine/5e33) | Structure of human DPP3 in complex with met-enkephalin | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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4R7E
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![BU of 4r7e by Molmil](/molmil-images/mine/4r7e) | Structure of Bre1 RING domain | Descriptor: | E3 ubiquitin-protein ligase BRE1, ZINC ION | Authors: | Kumar, P, Wolberger, C. | Deposit date: | 2014-08-27 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Structure of the yeast Bre1 RING domain. Proteins, 83, 2015
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3LS6
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![BU of 3ls6 by Molmil](/molmil-images/mine/3ls6) | Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate and zinc | Descriptor: | 3,4-Dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kumar, P, Karthikeyan, S. | Deposit date: | 2010-02-12 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2. Proteins, 78, 2010
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3LQU
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![BU of 3lqu by Molmil](/molmil-images/mine/3lqu) | |
3LRJ
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![BU of 3lrj by Molmil](/molmil-images/mine/3lrj) | |
8UI6
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![BU of 8ui6 by Molmil](/molmil-images/mine/8ui6) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-10 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UJF
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![BU of 8ujf by Molmil](/molmil-images/mine/8ujf) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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1I6B
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![BU of 1i6b by Molmil](/molmil-images/mine/1i6b) | |
1JW1
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![BU of 1jw1 by Molmil](/molmil-images/mine/1jw1) | |
5E2Q
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![BU of 5e2q by Molmil](/molmil-images/mine/5e2q) | Structure of human DPP3 in complex with angiotensin-II | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Kumar, P, Reisinger, M, Reithofer, V, Gruber, K. | Deposit date: | 2015-10-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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3NQ4
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![BU of 3nq4 by Molmil](/molmil-images/mine/3nq4) | |
3MK3
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![BU of 3mk3 by Molmil](/molmil-images/mine/3mk3) | Crystal structure of Lumazine synthase from Salmonella typhimurium LT2 | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, SULFATE ION | Authors: | Kumar, P, Singh, M, Karthikeyan, S. | Deposit date: | 2010-04-14 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.569 Å) | Cite: | Crystal structure analysis of icosahedral lumazine synthase from Salmonella typhimurium, an antibacterial drug target. Acta Crystallogr.,Sect.D, 67, 2011
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3H3U
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![BU of 3h3u by Molmil](/molmil-images/mine/3h3u) | Crystal structure of CRP (cAMP receptor Protein) from Mycobacterium tuberculosis | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY CRP/FNR-FAMILY), SULFATE ION | Authors: | Kumar, P, Joshi, D.C, Akif, M, Akhter, Y, Hasnain, S.E, Mande, S.C. | Deposit date: | 2009-04-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mapping conformational transitions in cyclic AMP receptor protein: crystal structure and normal-mode analysis of Mycobacterium tuberculosis apo-cAMP receptor protein Biophys.J., 98, 2010
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5WXU
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![BU of 5wxu by Molmil](/molmil-images/mine/5wxu) | 11S globulin from Wrightia tinctoria reveals auxin binding site | Descriptor: | 11S globulin, 1H-INDOL-3-YLACETIC ACID, CITRATE ANION, ... | Authors: | Kumar, P, Kesari, P, Dhindwal, S, Kumar, P. | Deposit date: | 2017-01-09 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel function for globulin in sequestering plant hormone: Crystal structure of Wrightia tinctoria 11S globulin in complex with auxin. Sci Rep, 7, 2017
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6A80
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![BU of 6a80 by Molmil](/molmil-images/mine/6a80) | Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with cystine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-05 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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6A8S
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![BU of 6a8s by Molmil](/molmil-images/mine/6a8s) | Crystal Structure of the putative amino acid-binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-10 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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6AA1
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![BU of 6aa1 by Molmil](/molmil-images/mine/6aa1) | Crystal structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus bound with citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-16 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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5DUJ
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![BU of 5duj by Molmil](/molmil-images/mine/5duj) | Crystal structure of ldtMt2 in complex with Faropenem adduct | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, BETA-MERCAPTOETHANOL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2015-09-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DU7
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5E1I
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![BU of 5e1i by Molmil](/molmil-images/mine/5e1i) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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