6T8U
| Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | 分子名称: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6T8V
| Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | 分子名称: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6L5Y
| Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light (2 min) | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | 登録日 | 2019-10-24 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L5W
| Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | 登録日 | 2019-10-24 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L5X
| Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light (2 min) | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | 登録日 | 2019-10-24 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L5V
| Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min) | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | 登録日 | 2019-10-24 | 公開日 | 2020-02-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6URQ
| Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen family member 4 (PAGE4) | 分子名称: | GLYCEROL, P antigen family member 4, Poly [ADP-ribose] polymerase tankyrase-1, ... | 著者 | Zheng, Y, Koirala, S, Miller, D, Potts, P.R. | 登録日 | 2019-10-24 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Tissue-Specific Regulation of the Wnt/ beta-Catenin Pathway by PAGE4 Inhibition of Tankyrase. Cell Rep, 32, 2020
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6URT
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6T89
| Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | 登録日 | 2019-10-24 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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6T8A
| Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | 登録日 | 2019-10-24 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) to be published
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6T8N
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | 著者 | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-24 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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6URA
| Crystal structure of RUBISCO from Promineofilum breve | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain | 著者 | Pereira, J.H, Banda, D.M, Liu, A.K, Shih, P.M, Adams, P.D. | 登録日 | 2019-10-23 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Novel bacterial clade reveals origin of form I Rubisco. Nat.Plants, 6, 2020
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6URG
| Cryo-EM structure of human CPSF160-WDR33-CPSF30-CPSF100 PIM complex | 分子名称: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 4, ... | 著者 | Sun, Y, Zhang, Y, Walz, T, Tong, L. | 登録日 | 2019-10-23 | 公開日 | 2019-11-27 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery. Mol.Cell, 77, 2020
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6URC
| Crystal structure of IRE1a in complex with compound 18 | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Wallweber, H.H, Wang, W. | 登録日 | 2019-10-23 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6URO
| Cryo-EM structure of human CPSF160-WDR33-CPSF30-PAS RNA-CstF77 complex | 分子名称: | Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, Cleavage stimulation factor subunit 3, ... | 著者 | Sun, Y, Zhang, Y, Walz, T, Tong, L. | 登録日 | 2019-10-23 | 公開日 | 2019-11-27 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery. Mol.Cell, 77, 2020
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6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | 著者 | Renatus, M. | 登録日 | 2019-10-22 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6T7H
| Crystal structure of Thrombin in complex with macrocycle N14-PR4-A | 分子名称: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Angelini, A, Kumar, M.G, Heinis, C, Cendron, L. | 登録日 | 2019-10-22 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries. Chem Sci, 11, 2020
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6UQO
| ClpA/ClpP Engaged State bound to RepA-GFP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp endopeptidase proteolytic subunit ClpP, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | 著者 | Lopez, K.L, Rizo, A.N, Southworth, D.R. | 登録日 | 2019-10-21 | 公開日 | 2020-04-22 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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6UQF
| Human HCN1 channel in a hyperpolarized conformation | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MERCURY (II) ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | 著者 | Lee, C.-H, MacKinnon, R. | 登録日 | 2019-10-19 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Voltage Sensor Movements during Hyperpolarization in the HCN Channel. Cell, 179, 2019
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6UQG
| Human HCN1 channel Y289D mutant | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | 著者 | Lee, C.-H, MacKinnon, R. | 登録日 | 2019-10-19 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Voltage Sensor Movements during Hyperpolarization in the HCN Channel. Cell, 179, 2019
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6UQE
| ClpA/ClpP Disengaged State bound to RepA-GFP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease proteolytic subunit, ... | 著者 | Lopez, K.L, Rizo, A.R, Southworth, D.R. | 登録日 | 2019-10-18 | 公開日 | 2020-04-22 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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6UPV
| Alpha-E-catenin ABD-F-actin complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Mei, L, Alushin, G.M. | 登録日 | 2019-10-18 | 公開日 | 2020-09-30 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Molecular mechanism for direct actin force-sensing by alpha-catenin. Elife, 9, 2020
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6UPW
| Metavinculin ABD-F-actin complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Mei, L, Alushin, G.M. | 登録日 | 2019-10-18 | 公開日 | 2020-09-30 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Molecular mechanism for direct actin force-sensing by alpha-catenin. Elife, 9, 2020
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6T6F
| Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275) | 分子名称: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D | 著者 | Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-10-18 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | CAMK1D bound to CS275 To Be Published
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6T6D
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | 分子名称: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-18 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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