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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6IXI
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![BU of 6ixi by Molmil](/molmil-images/mine/6ixi) | structure of Cd-bound periplasmic metal binding protein from candidatus liberibacter asiaticus | Descriptor: | ACETATE ION, CADMIUM ION, GLYCEROL, ... | Authors: | Kumar, P, Sharma, N, Dalal, V, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-12-10 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Characterization of the heavy metal binding properties of periplasmic metal uptake protein CLas-ZnuA2. Metallomics, 12, 2020
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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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6AAL
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![BU of 6aal by Molmil](/molmil-images/mine/6aal) | Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Arginine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-18 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 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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3ZC8
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![BU of 3zc8 by Molmil](/molmil-images/mine/3zc8) | Crystal Structure of Murraya koenigii Miraculin-Like Protein at 2.2 A resolution at pH 7.0 | Descriptor: | TRYPSIN INHIBITOR | Authors: | Selvakumar, P, Sharma, N, Tomar, P.P.S, Kumar, P, Sharma, A.K. | Deposit date: | 2012-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Insights Into the Aggregation Behavior of Murraya Koenigii Miraculin-Like Protein Below Ph 7.5. Proteins, 82, 2014
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3ZC9
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![BU of 3zc9 by Molmil](/molmil-images/mine/3zc9) | Crystal Structure of Murraya koenigii Miraculin-Like Protein at 2.2 A resolution at pH 4.6 | Descriptor: | TRYPSIN INHIBITOR | Authors: | Selvakumar, P, Sharma, N, Tomar, P.P.S, Kumar, P, Sharma, A.K. | Deposit date: | 2012-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Insights Into the Aggregation Behavior of Murraya Koenigii Miraculin-Like Protein Below Ph 7.5. Proteins, 82, 2014
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7OUP
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![BU of 7oup by Molmil](/molmil-images/mine/7oup) | Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic | Descriptor: | ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Gruber, K. | Deposit date: | 2021-06-12 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics. Chemistry, 27, 2021
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5UWV
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![BU of 5uwv by Molmil](/molmil-images/mine/5uwv) | Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2 | Descriptor: | L,D-TRANSPEPTIDASE 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2017-02-21 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins. Antimicrob. Agents Chemother., 61, 2017
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6O5U
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![BU of 6o5u by Molmil](/molmil-images/mine/6o5u) | AAC-VIa bound to Kanamycin A | Descriptor: | Aminoglycoside N(3)-acetyltransferase, KANAMYCIN A, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-03-04 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 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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5E3C
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![BU of 5e3c by Molmil](/molmil-images/mine/5e3c) | Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW | Descriptor: | Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.765 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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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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5EGY
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![BU of 5egy by Molmil](/molmil-images/mine/5egy) | Structure of ligand free human DPP3 in closed form. | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, ZINC ION | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-27 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.741 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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8GYR
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![BU of 8gyr by Molmil](/molmil-images/mine/8gyr) | Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kumar, P, Akif, M. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains. Int.J.Biol.Macromol., 244, 2023
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5EHH
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![BU of 5ehh by Molmil](/molmil-images/mine/5ehh) | Structure of human DPP3 in complex with endomorphin-2. | Descriptor: | Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-28 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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5E3A
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![BU of 5e3a by Molmil](/molmil-images/mine/5e3a) | Structure of human DPP3 in complex with opioid peptide leu-enkephalin | Descriptor: | Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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7QDI
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![BU of 7qdi by Molmil](/molmil-images/mine/7qdi) | Structure of octameric left-handed 310-helix bundle: D-310HD | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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7QDJ
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![BU of 7qdj by Molmil](/molmil-images/mine/7qdj) | Racemic structure of PK-10 and PK-11 | Descriptor: | GLYCEROL, MALONATE ION, PK-10+PK-11, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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7QDK
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![BU of 7qdk by Molmil](/molmil-images/mine/7qdk) | A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2021-11-27 | Release date: | 2022-04-27 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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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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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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6NP1
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![BU of 6np1 by Molmil](/molmil-images/mine/6np1) | |
6NP4
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![BU of 6np4 by Molmil](/molmil-images/mine/6np4) | AAC-VIa bound to Tobramycin | Descriptor: | Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION, TOBRAMYCIN | 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 (1.151 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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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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