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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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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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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2XSH
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![BU of 2xsh by Molmil](/molmil-images/mine/2xsh) | CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL | Descriptor: | 2,6-DICHLOROBIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ... | Authors: | Kumar, P, Bolin, J.T. | Deposit date: | 2010-09-29 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution. J.Mol.Biol., 405, 2011
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2XSO
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![BU of 2xso by Molmil](/molmil-images/mine/2xso) | |
2XR8
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![BU of 2xr8 by Molmil](/molmil-images/mine/2xr8) | |
2XRX
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![BU of 2xrx by Molmil](/molmil-images/mine/2xrx) | |
2YFL
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![BU of 2yfl by Molmil](/molmil-images/mine/2yfl) | |
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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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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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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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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4R62
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![BU of 4r62 by Molmil](/molmil-images/mine/4r62) | Structure of Rad6~Ub | Descriptor: | ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2 | Authors: | Kumar, P, Wolberger, C. | Deposit date: | 2014-08-22 | Release date: | 2015-09-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity. Nucleic Acids Res., 43, 2015
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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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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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8BFD
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![BU of 8bfd by Molmil](/molmil-images/mine/8bfd) | Racemic structure of PK-7 (310HD-U2U5) | Descriptor: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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8BFE
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![BU of 8bfe by Molmil](/molmil-images/mine/8bfe) | A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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8B45
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![BU of 8b45 by Molmil](/molmil-images/mine/8b45) | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 | Descriptor: | 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ... | Authors: | Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N. | Deposit date: | 2022-09-19 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 To Be Published
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5E1G
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![BU of 5e1g by Molmil](/molmil-images/mine/5e1g) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | Descriptor: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DZP
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![BU of 5dzp by Molmil](/molmil-images/mine/5dzp) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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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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6NP1
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![BU of 6np1 by Molmil](/molmil-images/mine/6np1) | |