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2RCJ
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BU of 2rcj by Molmil
Solution structure of human Immunoglobulin M
分子名称: IgA1 heavy chain, IgA1 light chain, J chain
著者Perkins, S.J, Nealis, A.S, Sutton, B.J, Feinstein, A.
登録日2007-09-20
公開日2008-01-22
最終更新日2024-02-21
実験手法SOLUTION SCATTERING
主引用文献Solution structure of human and mouse immunoglobulin M by synchrotron X-ray scattering and molecular graphics modelling. A possible mechanism for complement activation.
J.Mol.Biol., 221, 1991
8ATL
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BU of 8atl by Molmil
Discovery of IRAK4 Inhibitor 23
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ATN
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Discovery of IRAK4 Inhibitor 38
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8ATB
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Discovery of IRAK4 Inhibitor 16
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-08-22
公開日2023-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
5AHS
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3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA
分子名称: ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
登録日2015-02-06
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
5AF7
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3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure
分子名称: ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
著者Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A.
登録日2015-01-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
7NRT
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Conformation 2 of straight filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRX
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Straight filament from Alzheimer's disease with PET ligand APN-1607
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRV
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Paired helical filament from Alzheimer's disease with PET ligand APN-1607
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRS
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Conformation 1 of straight filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRQ
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Paired helical filament from primary age-related tauopathy brain
分子名称: Microtubule-associated protein tau
著者Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
登録日2021-03-04
公開日2021-03-24
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
2WY3
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Structure of the HCMV UL16-MICB complex elucidates select binding of a viral immunoevasin to diverse NKG2D ligands
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Mueller, S, Zocher, G, Steinle, A, Stehle, T.
登録日2009-11-11
公開日2010-02-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Hcmv Ul16-Micb Complex Elucidates Select Binding of a Viral Immunoevasin to Diverse Nkg2D Ligands.
Plos Pathog., 6, 2010
2EZ4
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Pyruvate oxidase variant F479W
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
2EZU
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Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate
分子名称: 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
2EZ9
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Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
2EZT
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Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate
分子名称: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
2EZ8
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Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K.
登録日2005-11-10
公開日2006-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
1HFH
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SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
分子名称: FACTOR H, 15TH AND 16TH C-MODULE PAIR
著者Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
登録日1993-02-23
公開日1993-07-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
1HFI
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BU of 1hfi by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
分子名称: FACTOR H, 15TH C-MODULE PAIR
著者Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
登録日1993-02-23
公開日1993-07-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
3GOF
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BU of 3gof by Molmil
Calmodulin bound to peptide from macrophage nitric oxide synthase
分子名称: CALCIUM ION, Calmodulin, Nitric oxide synthase, ...
著者Ng, H.L, Greenstein, A, Marletta, M, Wand, A.J, Alber, T.
登録日2009-03-19
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural diversity in calmodulin recognition of nitric oxide synthases
To be Published
6TH4
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BU of 6th4 by Molmil
Tubulin-inhibitor complex
分子名称: 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Varela, P.F, Gigant, B.
登録日2019-11-18
公開日2021-12-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner
Acs Omega, 7, 2022
2P1L
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Structure of the Bcl-XL:Beclin 1 complex
分子名称: Apoptosis regulator Bcl-X, Beclin 1
著者Jeffrey, P.D, Shi, Y, Oberstein, A.L.
登録日2007-03-05
公開日2007-03-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the Bcl-XL-Beclin 1 peptide complex: Beclin 1 is a novel BH3-only protein
J.Biol.Chem., 282, 2007
5FHX
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CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION.
分子名称: Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ...
著者Vallee, F, Dupuy, A, Rak, A.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
5HCG
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CRYSTAL STRUCTURE OF FREE-CODV.
分子名称: CODV heavy-chain, CODV light chain
著者Vallee, F, Dupuy, A, Rak, A.
登録日2016-01-04
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
8QEX
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Streptavidin variant with a cobalt catalyst for CH metal-catalyzed hydrogen-atom-transfer (M-HAT)
分子名称: Streptavidin, cobalt Streptavidin
著者Jakob, R.P, Chen, D, Ward, T.R.
登録日2023-09-01
公開日2024-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An evolved artificial radical cyclase enables the construction of bicyclic terpenoid scaffolds via an H-atom transfer pathway.
Nat.Chem., 16, 2024

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