5GIV
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![BU of 5giv by Molmil](/molmil-images/mine/5giv) | Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1 | Descriptor: | ACETATE ION, Carboxypeptidase 1, ZINC ION | Authors: | Sharma, B, Singh, R, Yadav, P, Ghosh, B, Kumar, A, Jamdar, S.N, Makde, R.D. | Deposit date: | 2016-06-25 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations Biochim. Biophys. Acta, 1865, 2017
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7TJF
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![BU of 7tjf by Molmil](/molmil-images/mine/7tjf) | S. cerevisiae ORC bound to 84 bp ARS1 DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA, 84 bp ARS1, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2023-01-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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7TVI
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![BU of 7tvi by Molmil](/molmil-images/mine/7tvi) | Alpha1/BetaB Heteromeric Glycine Receptor in Glycine-Bound State | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor beta subunit 2, ... | Authors: | Gibbs, E, Chakrapani, S, Kumar, A. | Deposit date: | 2022-02-04 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor Nat Commun, 14, 2023
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7TU9
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![BU of 7tu9 by Molmil](/molmil-images/mine/7tu9) | Alpha1/BetaB Heteromeric Glycine Receptor in Strychnine-Bound State | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor beta subunit 2, ... | Authors: | Gibbs, E, Kumar, A, Chakrapani, S. | Deposit date: | 2022-02-02 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor Nat Commun, 14, 2023
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1FMS
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![BU of 1fms by Molmil](/molmil-images/mine/1fms) | Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | Descriptor: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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7TJK
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![BU of 7tjk by Molmil](/molmil-images/mine/7tjk) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with docked Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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7TJJ
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![BU of 7tjj by Molmil](/molmil-images/mine/7tjj) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with docked Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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7TJI
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![BU of 7tji by Molmil](/molmil-images/mine/7tji) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with flexible Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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7TJH
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![BU of 7tjh by Molmil](/molmil-images/mine/7tjh) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with flexible Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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5XI1
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![BU of 5xi1 by Molmil](/molmil-images/mine/5xi1) | Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs) | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | Authors: | Tawani, A, Mishra, S.K, Khan, E, Kumar, A. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs). ACS Chem. Biol., 13, 2018
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7D5L
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![BU of 7d5l by Molmil](/molmil-images/mine/7d5l) | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | Descriptor: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | Authors: | Ghosh, K, Anumula, R, Kumar, A. | Deposit date: | 2020-09-26 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 63, 2020
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1FMQ
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![BU of 1fmq by Molmil](/molmil-images/mine/1fmq) | Cyclo-butyl-bis-furamidine complexed with dCGCGAATTCGCG | Descriptor: | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | Deposit date: | 2000-08-18 | Release date: | 2000-09-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans Bioorg.Med.Chem.Lett., 10, 2000
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8V38
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![BU of 8v38 by Molmil](/molmil-images/mine/8v38) | |
6JBP
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![BU of 6jbp by Molmil](/molmil-images/mine/6jbp) | Structure of MP-4 from Mucuna pruriens at 2.22 Angstroms | Descriptor: | Kunitz-type trypsin inhibitor-like 2 protein | Authors: | Jain, A, Shikhi, M, Kumar, A, Kumar, A, Nair, D.T, Salunke, D.M. | Deposit date: | 2019-01-26 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | The structure of MP-4 from Mucuna pruriens at 2.22 angstrom resolution. Acta Crystallogr.,Sect.F, 76, 2020
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5GIQ
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![BU of 5giq by Molmil](/molmil-images/mine/5giq) | Xaa-Pro peptidase from Deinococcus radiodurans, Zinc bound | Descriptor: | PHOSPHATE ION, Proline dipeptidase, ZINC ION | Authors: | Are, V.N, Singh, R, Kumar, A, Ghosh, B, Jamdar, S.N, Makde, R.D. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases. Proteins, 2018
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3EIU
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![BU of 3eiu by Molmil](/molmil-images/mine/3eiu) | A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A1Ao ATP synthase | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, V-type ATP synthase beta chain | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2008-09-17 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A(1)A(O) ATP synthase J.Struct.Biol., 166, 2009
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5GJL
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![BU of 5gjl by Molmil](/molmil-images/mine/5gjl) | Solution structure of SUMO from Plasmodium falciparum | Descriptor: | Uncharacterized protein | Authors: | Singh, J.S, Shukla, V.K, Gujrati, M, Mishra, R.K, Kumar, A. | Deposit date: | 2016-06-30 | Release date: | 2017-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure, dynamics and interaction study of SUMO from Plasmodium falciparum To Be Published
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5GIU
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![BU of 5giu by Molmil](/molmil-images/mine/5giu) | Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site | Descriptor: | PHOSPHATE ION, Proline dipeptidase, SODIUM ION | Authors: | Are, V.N, Kumar, A, Singh, R, Ghosh, B, Jamdar, S.N, Makde, R.D. | Deposit date: | 2016-06-25 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site To Be Published
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7BB4
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![BU of 7bb4 by Molmil](/molmil-images/mine/7bb4) | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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7BBI
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![BU of 7bbi by Molmil](/molmil-images/mine/7bbi) | Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin | Descriptor: | PLL lectin | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-17 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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7BBC
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![BU of 7bbc by Molmil](/molmil-images/mine/7bbc) | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-17 | Release date: | 2021-03-24 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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7FCN
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![BU of 7fcn by Molmil](/molmil-images/mine/7fcn) | Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Prashar, A, Kumar, A, Kinkar, O, Hire, R.S, Makde, R.D. | Deposit date: | 2021-07-15 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1 Insect Biochem.Mol.Biol., 162, 2023
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6KP1
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![BU of 6kp1 by Molmil](/molmil-images/mine/6kp1) | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid | Descriptor: | METHIONINE, SODIUM ION, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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6KP0
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![BU of 6kp0 by Molmil](/molmil-images/mine/6kp0) | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine | Descriptor: | ARGININE, SODIUM ION, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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7CZC
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![BU of 7czc by Molmil](/molmil-images/mine/7czc) | Crystal structure of apo-FabG from Vibrio harveyi | Descriptor: | 3-oxoacyl-ACP reductase FabG, DI(HYDROXYETHYL)ETHER | Authors: | Singh, B.K, Kumar, A, Paul, B, Biswas, R, Das, A.K. | Deposit date: | 2020-09-08 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of apo-FabG from Vibrio harveyi To Be Published
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