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6I6C
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BU of 6i6c by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
Descriptor: (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, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: 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
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-16
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ...
Authors: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.
Deposit date:2005-05-19
Release date:2005-06-07
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:9-hydroxyazafluorenes and their use in thrombin inhibitors
J.Med.Chem., 48, 2005
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
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
6X2I
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BU of 6x2i by Molmil
The Cutavirus (CuV) capsid structure
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural Characterization of Cuta- and Tusavirus: Insight into Protoparvoviruses Capsid Morphology.
Viruses, 12, 2020
6BX0
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BU of 6bx0 by Molmil
Atomic resolution structure of human bufavirus 2
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-12-15
Release date:2018-01-24
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite: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
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-12-15
Release date:2018-01-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6BWX
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BU of 6bwx by Molmil
Atomic resolution structure of human bufavirus 1
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-12-15
Release date:2018-01-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite: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
Descriptor: Capsid protein VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-02-13
Release date:2017-03-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
5US7
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BU of 5us7 by Molmil
Human bocavirus 3
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-02-13
Release date:2017-03-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
6X2K
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BU of 6x2k by Molmil
The Tusavirus (TuV) capsid structure
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural Characterization of Cuta- and Tusavirus: Insight into Protoparvoviruses Capsid Morphology.
Viruses, 12, 2020
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.901 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
8EP2
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BU of 8ep2 by Molmil
The capsid structure of Aleutian Mink Disease Virus
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-10-04
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite: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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BU of 8ep9 by Molmil
The capsid structure of Human Parvovirus 4
Descriptor: Human Parvovirus 4
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-10-05
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
5A0G
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BU of 5a0g by Molmil
N-terminal thioester domain of surface protein from Clostridium perfringens
Descriptor: SURFACE ANCHORED PROTEIN
Authors:Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
Deposit date:2015-04-20
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
8OWT
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BU of 8owt by Molmil
SARS-CoV-2 spike RBD with A8 and H3 nanobodies bound
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A8, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWW
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BU of 8oww by Molmil
B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, B5-5 nanobody, ...
Authors:Cornish, K.A.S, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWV
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BU of 8owv by Molmil
H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024

222036

数据于2024-07-03公开中

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