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7P67
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BU of 7p67 by Molmil
Globular glial tauopathy type 2 tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P6E
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Argyrophilic grain disease type 2 tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P6D
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Argyrophilic grain disease type 1 tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P6A
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BU of 7p6a by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 1a tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P65
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Progressive supranuclear palsy tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P66
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Globular glial tauopathy type 1 tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P6C
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BU of 7p6c by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
7P6B
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Limbic-predominant neuronal inclusion body 4R tauopathy type 1b tau filament
分子名称: Microtubule-associated protein tau
著者Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
登録日2021-07-15
公開日2021-09-15
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structure-based classification of tauopathies.
Nature, 598, 2021
6HZU
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BU of 6hzu by Molmil
HUMAN JAK1 IN COMPLEX WITH LASW1393
分子名称: 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
著者Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
登録日2018-10-24
公開日2019-10-23
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
6QZ7
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BU of 6qz7 by Molmil
Structure of MBP-Mcl-1 in complex with compound 8b
分子名称: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-11
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZB
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Structure of Mcl-1 in complex with compound 8d
分子名称: (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-11
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QXJ
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BU of 6qxj by Molmil
Structure of MBP-Mcl-1 in complex with compound 6a
分子名称: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-07
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
5XMS
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BU of 5xms by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS498
分子名称: (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
5XMP
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BU of 5xmp by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057
分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
6I4Q
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Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 Angstrom resolution
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
著者Nagy, B, Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2018-11-10
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
5XPR
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Human endothelin receptor type-B in complex with antagonist bosentan
分子名称: 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, Endothelin B receptor,Endolysin,Endothelin B receptor, SULFATE ION
著者Shihoya, W, Nishizawa, T, Yamashita, K, Hirata, K, Okuta, A, Tani, K, Fujiyoshi, Y, Doi, T, Nureki, O.
登録日2017-06-04
公開日2017-08-16
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Nat. Struct. Mol. Biol., 24, 2017
8OFA
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BU of 8ofa by Molmil
Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ...
著者Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2023-03-14
公開日2023-11-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
11BA
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BU of 11ba by Molmil
BINDING OF A SUBSTRATE ANALOGUE TO A DOMAIN SWAPPING PROTEIN IN THE COMPLEX OF BOVINE SEMINAL RIBONUCLEASE WITH URIDYLYL-2',5'-ADENOSINE
分子名称: PROTEIN (RIBONUCLEASE, SEMINAL), SULFATE ION, ...
著者Vitagliano, L, Adinolfi, S, Riccio, A, Sica, F, Zagari, A, Mazzarella, L.
登録日1999-03-17
公開日1999-03-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2',5')adenosine.
Protein Sci., 7, 1998
4WFN
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BU of 4wfn by Molmil
Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22 in complex with erythromycin
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
登録日2014-09-16
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
6WPE
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HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4WUO
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BU of 4wuo by Molmil
Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ...
著者Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S.
登録日2014-11-03
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase.
Febs Lett., 589, 2015
5XB5
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Crystal structure of R90A mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: PHOSPHATE ION, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-15
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
5XAI
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dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-13
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
6I4P
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Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
著者Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2018-11-10
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
8BS1
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Room-temperature structure of SARS-CoV-2 Main protease at atmospheric pressure
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A.
登録日2022-11-24
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published

222415

件を2024-07-10に公開中

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