4IHK
| Crystal structure of the Collagen VI alpha3 N5 domain R1061Q | 分子名称: | Collagen alpha3(VI) | 著者 | Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M. | 登録日 | 2012-12-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein Structure, 22, 2014
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4IJ2
| Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... | 著者 | Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. | 登録日 | 2012-12-21 | 公開日 | 2013-12-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (4.24 Å) | 主引用文献 | Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus J.Biol.Chem., 289, 2014
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6PK6
| Human PRPF4B bound to benzothiophene inhibitor 329 | 分子名称: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-28 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | to be published To Be Published
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8RIY
| Human NUDT5 with ibrutinib derivative | 分子名称: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | 著者 | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | 登録日 | 2023-12-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | 主引用文献 | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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8R1J
| Structure of avian H5N1 influenza A polymerase dimer in complex with human ANP32B. | 分子名称: | Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ... | 著者 | Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | 登録日 | 2023-11-02 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation. Nat Commun, 15, 2024
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6PR4
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6P7C
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6P9E
| Crystal structure of IL-36gamma complexed to A-552 | 分子名称: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | 著者 | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | 登録日 | 2019-06-10 | 公開日 | 2019-06-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
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6PDT
| cryoEM structure of yeast glucokinase filament | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Glucokinase-1, MAGNESIUM ION, ... | 著者 | Lynch, E.M, Dosey, A.M, Farrell, D.P, Stoddard, P.R, Kollman, J.M. | 登録日 | 2019-06-19 | 公開日 | 2020-03-11 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Polymerization in the actin ATPase clan regulates hexokinase activity in yeast. Science, 367, 2020
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6P7D
| D104N S. typhimurium siroheme synthase | 分子名称: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | 著者 | Pennington, J.M, Stroupe, M.E. | 登録日 | 2019-06-05 | 公開日 | 2020-02-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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6P90
| Crystal structure of PaDHDPS2-H56Q mutant | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL | 著者 | Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P. | 登録日 | 2019-06-08 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation. Febs J., 287, 2020
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6PDN
| Human PIM1 bound to benzothiophene inhibitor 292 | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-19 | 公開日 | 2019-07-24 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human PIM1 To Be Published
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6PDO
| Human PIM1 bound to benzothiophene inhibitor 354 | 分子名称: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-19 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human PIM1 To Be Published
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8TFV
| INSECT DEFENSE PEPTIDE | 分子名称: | PROTEIN (THANATIN) | 著者 | Mandard, N, Sodano, P, Labbe, H, Bonmatin, J.M, Bulet, P, Hetru, C, Ptak, M, Vovelle, F. | 登録日 | 1998-11-24 | 公開日 | 1998-12-02 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of thanatin, a potent bactericidal and fungicidal insect peptide, determined from proton two-dimensional nuclear magnetic resonance data. Eur.J.Biochem., 256, 1998
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6PR2
| R261A/S128A S. typhimurium siroheme synthase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Pennington, J.M, Stroupe, M.E. | 登録日 | 2019-07-10 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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6PHS
| Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | 登録日 | 2019-06-25 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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4IW0
| Crystal structure and mechanism of activation of TBK1 | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | 著者 | Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D. | 登録日 | 2013-01-23 | 公開日 | 2013-03-13 | 最終更新日 | 2013-05-22 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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6PFW
| Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | 分子名称: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | 登録日 | 2019-06-22 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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6P5X
| Sirohydrochlorin-bound S. typhimurium siroheme synthase | 分子名称: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Pennington, J.M, Stroupe, M.E. | 登録日 | 2019-05-31 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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6PK7
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6PJJ
| Human PRPF4B bound to benzothiophene inhibitor 224 | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | 登録日 | 2019-06-28 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | to be published To Be Published
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5QD4
| Crystal structure of BACE complex with BMC023 | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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4IGI
| Crystal structure of the Collagen VI alpha3 N5 domain | 分子名称: | Collagen alpha3(VI) | 著者 | Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M. | 登録日 | 2012-12-17 | 公開日 | 2013-12-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein Structure, 22, 2014
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6P9W
| Poliovirus (Type 1 Mahoney), receptor catalysed 135S particle map | 分子名称: | VP1, VP2, VP3 | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | 登録日 | 2019-06-10 | 公開日 | 2020-06-10 | 最終更新日 | 2020-10-21 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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8TB7
| Cryo-EM Structure of GPR61- | 分子名称: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | 著者 | Lees, J.A, Dias, J.M, Han, S. | 登録日 | 2023-06-28 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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