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6I6C
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BU of 6i6c by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
分子名称: (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I6T
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BU of 6i6t by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
6I79
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BU of 6i79 by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4
分子名称: 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-16
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
1ZRB
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BU of 1zrb by Molmil
Thrombin in complex with an azafluorenyl inhibitor 23b
分子名称: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ...
著者Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y.
登録日2005-05-19
公開日2005-06-07
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
6ZH9
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BU of 6zh9 by Molmil
Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
分子名称: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
著者Naismith, J.H, Mikolajek, H, Le Bas, A.
登録日2020-06-21
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
8EP2
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BU of 8ep2 by Molmil
The capsid structure of Aleutian Mink Disease Virus
分子名称: Capsid protein VP1
著者Mietzsch, M, McKenna, R.
登録日2022-10-04
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
8EP9
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The capsid structure of Human Parvovirus 4
分子名称: Human Parvovirus 4
著者Mietzsch, M, McKenna, R.
登録日2022-10-05
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
6QFA
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BU of 6qfa by Molmil
CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ...
著者Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
登録日2019-01-09
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6ZHD
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BU of 6zhd by Molmil
H11-H4 bound to Spike
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, Nanobody H11-H4, ...
著者Clare, D.K, Naismith, J.H, Weckener, M, Vogirala, V.K.
登録日2020-06-22
公開日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献H11-H4 bound to Spike
To Be Published
6BX0
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BU of 6bx0 by Molmil
Atomic resolution structure of human bufavirus 2
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6BX1
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BU of 6bx1 by Molmil
Atomic resolution structure of human bufavirus 3
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
5US9
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BU of 5us9 by Molmil
Human bocavirus 4
分子名称: Capsid protein VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-02-13
公開日2017-03-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
5US7
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BU of 5us7 by Molmil
Human bocavirus 3
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-02-13
公開日2017-03-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
6BWX
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BU of 6bwx by Molmil
Atomic resolution structure of human bufavirus 1
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6X2K
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BU of 6x2k by Molmil
The Tusavirus (TuV) capsid structure
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-05-20
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural Characterization of Cuta- and Tusavirus: Insight into Protoparvoviruses Capsid Morphology.
Viruses, 12, 2020
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
6X2I
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BU of 6x2i by Molmil
The Cutavirus (CuV) capsid structure
分子名称: VP2
著者Mietzsch, M, Agbandje-McKenna, M.
登録日2020-05-20
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural Characterization of Cuta- and Tusavirus: Insight into Protoparvoviruses Capsid Morphology.
Viruses, 12, 2020
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
8OWV
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BU of 8owv by Molmil
H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ...
著者Mikolajek, H, Naismith, J.H, Owens, R.J.
登録日2023-04-28
公開日2024-05-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024

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