7DF6
 
 | | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7DF5
 | | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7W9A
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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 | | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, V-type ATP synthase beta chain | | 著者 | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | 登録日 | 2008-09-17 | | 公開日 | 2009-02-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.43 Å) | | 主引用文献 | 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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7XQ7
 | | The complex structure of WT-Mpro | | 分子名称: | 3C-like proteinase nsp5, SODIUM ION | | 著者 | Sahoo, P, Lenka, D.R, Kumar, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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7XQ6
 | | The complex structure of mutant Mpro with inhibitor | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Sahoo, P, Lenka, D.R, Kumar, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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7W9G
 | | Complex structure of Mpro with ebselen-derivative inhibitor | | 分子名称: | 3C-like proteinase nsp5, SELENIUM ATOM | | 著者 | Sahoo, P, Kumar, A. | | 登録日 | 2021-12-09 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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1BPB
 | | CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM | | 分子名称: | DNA POLYMERASE BETA | | 著者 | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-04-12 | | 公開日 | 1994-06-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
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1BPD
 | | CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM | | 分子名称: | DNA POLYMERASE BETA, PHOSPHATE ION | | 著者 | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-04-12 | | 公開日 | 1994-06-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
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8IYO
 | | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form | | 分子名称: | ACETYL COENZYME *A, N-acetyltransferase domain-containing protein | | 著者 | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | | 登録日 | 2023-04-05 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
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8IYM
 | | Crystal structure of a protein acetyltransferase, HP0935 | | 分子名称: | 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ... | | 著者 | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | | 登録日 | 2023-04-05 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a protein acetyltransferase, HP0935
To be published
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8QOT
 | | Structure of the mu opioid receptor bound to the antagonist nanobody NbE | | 分子名称: | Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ... | | 著者 | Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M. | | 登録日 | 2023-09-29 | | 公開日 | 2023-12-27 | | 最終更新日 | 2025-01-29 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis of mu-opioid receptor targeting by a nanobody antagonist.
Nat Commun, 15, 2024
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3P20
 | | Crystal structure of vanadate bound subunit A of the A1AO ATP synthase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | | 著者 | Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | 登録日 | 2010-10-01 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
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3QG1
 | | Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain | | 著者 | Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | 登録日 | 2011-01-24 | | 公開日 | 2011-10-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7E
 | | Room temperature X-ray structure of perdeuterated PLL lectin | | 分子名称: | PLL lectin | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7C
 | | Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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4YN6
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1RL4
 | | Plasmodium falciparum peptide deformylase complex with inhibitor | | 分子名称: | (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ... | | 著者 | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J. | | 登録日 | 2003-11-24 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
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1RQC
 | | Crystals of peptide deformylase from Plasmodium falciparum with ten subunits per asymmetric unit reveal critical characteristics of the active site for drug design | | 分子名称: | COBALT (II) ION, formylmethionine deformylase | | 著者 | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G. | | 登録日 | 2003-12-04 | | 公開日 | 2004-01-20 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | An improved crystal form of Plasmodium falciparum peptide deformylase
Protein Sci., 13, 2004
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8WZN
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8WZO
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8V8K
 | | Crystal Structure of Nanobody NbE | | 分子名称: | Nanobody NbE | | 著者 | Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M. | | 登録日 | 2023-12-05 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural basis of mu-opioid receptor targeting by a nanobody antagonist.
Nat Commun, 15, 2024
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7Q4V
 | | Electron bifurcating hydrogenase - HydABC from A. woodii | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | 著者 | Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | 登録日 | 2021-11-02 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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1BPE
 | | CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA; EVIDENCE FOR A COMMON POLYMERASE MECHANISM | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA POLYMERASE BETA | | 著者 | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-04-12 | | 公開日 | 1994-07-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
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