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6T8W
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BU of 6t8w by Molmil
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, 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, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, 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 (1.7 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
6TAQ
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BU of 6taq by Molmil
Structure of the dArc2 capsid
分子名称: Activity-regulated cytoskeleton associated protein 2
著者Erlendsson, S, Morado, D.R, Shepherd, J.D, Briggs, J.A.G.
登録日2019-10-30
公開日2020-01-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of virus-like capsids formed by the Drosophila neuronal Arc proteins.
Nat.Neurosci., 23, 2020
6TAU
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BU of 6tau by Molmil
Structure of the two-fold capsomer of the dArc2 capsid
分子名称: Activity-regulated cytoskeleton associated protein 2
著者Erlendsson, S, Morado, D.R, Shepherd, J.D, Briggs, J.A.G.
登録日2019-10-30
公開日2020-01-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of virus-like capsids formed by the Drosophila neuronal Arc proteins.
Nat.Neurosci., 23, 2020
6TAR
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BU of 6tar by Molmil
Structure of the five-fold capsomer of the dArc1 capsid
分子名称: Activity-regulated cytoskeleton associated protein 1
著者Erlendsson, S, Morado, D.R, Shepherd, J.D, Briggs, J.A.G.
登録日2019-10-30
公開日2020-01-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of virus-like capsids formed by the Drosophila neuronal Arc proteins.
Nat.Neurosci., 23, 2020
4R6A
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BU of 4r6a by Molmil
Crystal structure of human TLR8 in complex with Hybrid-2
分子名称: 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2014-08-22
公開日2015-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes
To be Published
6T8U
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BU of 6t8u by Molmil
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
4R9W
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BU of 4r9w by Molmil
Crystal structure of platelet factor 4 complexed with fondaparinux
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
6TBL
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BU of 6tbl by Molmil
Crystal structure of MMS19(CTD)-CIAO1-CIAO2B CIA targeting complex
分子名称: 1,2-ETHANEDIOL, MIP18 family protein galla-2, MMS19 nucleotide excision repair protein homolog, ...
著者Kassube, S.A, Thoma, N.H.
登録日2019-11-01
公開日2020-07-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
6TBN
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BU of 6tbn by Molmil
Crystal structure of CIAO1-CIAO2B CIA core complex
分子名称: MIP18 family protein galla-2, Probable cytosolic iron-sulfur protein assembly protein Ciao1, SODIUM ION
著者Kassube, S.A, Thoma, N.H.
登録日2019-11-01
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
6TC0
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BU of 6tc0 by Molmil
Crystal structure of MMS19-CIAO1-CIAO2B CIA targeting complex
分子名称: MIP18 family protein galla-2, MMS19 nucleotide excision repair protein homolog, Probable cytosolic iron-sulfur protein assembly protein Ciao1
著者Kassube, S.A, Thoma, N.H.
登録日2019-11-04
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
6T9R
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BU of 6t9r by Molmil
Aplysia californica AChBP in complex with a cytisine derivative
分子名称: (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ...
著者Davis, S, Hunter, W.N.
登録日2019-10-28
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica.
Acta Crystallogr.,Sect.F, 76, 2020
6TIS
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BU of 6tis by Molmil
DROSOPHILA GDP-TUBULIN
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Gigant, B.
登録日2019-11-22
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
6TAT
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BU of 6tat by Molmil
Structure of the five-fold capsomer of the dArc2 capsid
分子名称: Activity-regulated cytoskeleton associated protein 2
著者Erlendsson, S, Morado, D.R, Shepherd, J.D, Briggs, J.A.G.
登録日2019-10-30
公開日2020-01-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of virus-like capsids formed by the Drosophila neuronal Arc proteins.
Nat.Neurosci., 23, 2020
4R9Y
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BU of 4r9y by Molmil
Crystal structure of KKOFab in complex with platelet factor 4
分子名称: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.11 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
分子名称: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4R07
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BU of 4r07 by Molmil
Crystal structure of human TLR8 in complex with ORN06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate), ...
著者Tanji, H, Ohto, U, Shibata, T, Taoka, M, Yamauchi, Y, Isobe, T, Miyake, K, Shimizu, T.
登録日2014-07-30
公開日2015-01-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Toll-like receptor 8 senses degradation products of single-stranded RNA
Nat.Struct.Mol.Biol., 22, 2015
6T8V
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BU of 6t8v by Molmil
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
6TAP
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BU of 6tap by Molmil
Structure of the dArc1 capsid
分子名称: Activity-regulated cytoskeleton associated protein 1, ZINC ION
著者Erlendsson, S, Morado, D.R, Shepherd, J.D, Briggs, J.A.G.
登録日2019-10-30
公開日2020-01-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of virus-like capsids formed by the Drosophila neuronal Arc proteins.
Nat.Neurosci., 23, 2020
6TIZ
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BU of 6tiz by Molmil
DROSOPHILA GDP-TUBULIN Y222F MUTANT
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Gigant, B.
登録日2019-11-22
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
4NGS
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BU of 4ngs by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
6TIU
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BU of 6tiu by Molmil
DROSOPHILA GTP-TUBULIN Y222F MUTANT
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Gigant, B.
登録日2019-11-22
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.571 Å)
主引用文献GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
4JHD
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BU of 4jhd by Molmil
Crystal Structure of an Actin Dimer in Complex with the Actin Nucleator Cordon-Bleu
分子名称: Actin-5C, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Chen, X, Ni, F, Wang, Q.
登録日2013-03-04
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural basis of actin filament nucleation by tandem w domains.
Cell Rep, 3, 2013
4R09
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BU of 4r09 by Molmil
Crystal structure of human TLR8 in complex with ORN06S
分子名称: 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2014-07-30
公開日2015-01-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Toll-like receptor 8 senses degradation products of single-stranded RNA.
Nat.Struct.Mol.Biol., 22, 2015
4NGP
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BU of 4ngp by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGT
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BU of 4ngt by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014

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