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8CQT
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BU of 8cqt by Molmil
Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1316)
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase
Authors:Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M.
Deposit date:2023-03-07
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron
To Be Published
8CQU
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BU of 8cqu by Molmil
Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1680)
Descriptor: CITRIC ACID, Putative NADH dehydrogenase/NAD(P)H nitroreductase, TERTIARY-BUTYL ALCOHOL
Authors:Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M.
Deposit date:2023-03-07
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron
To Be Published
8CQV
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BU of 8cqv by Molmil
Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_3392)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M.
Deposit date:2023-03-07
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron
To Be Published
4WKE
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BU of 4wke by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10)
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
Authors:Durbin, J.D.
Deposit date:2014-10-02
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WKI
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BU of 4wki by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE (compound 11)
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
Authors:Durbin, J.D.
Deposit date:2014-10-02
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WK7
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BU of 4wk7 by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide)
Descriptor: 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ...
Authors:Durbin, J.D, Stout, S.L.
Deposit date:2014-10-01
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-15
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
8U6Y
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BU of 8u6y by Molmil
Preholo-Proteasome from Beta 3 D205 deletion
Descriptor: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
6SUW
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BU of 6suw by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 E31A variant
Descriptor: CALCIUM ION, FE (III) ION, Uncharacterized protein
Authors:Marles-Wright, J, He, D.
Deposit date:2019-09-17
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Dissecting the structural and functional roles of a putative metal entry site in encapsulated ferritins.
J.Biol.Chem., 295, 2020
4ALW
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BU of 4alw by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALU
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BU of 4alu by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
Descriptor: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Stout, T.J, Adams, L.
Deposit date:2012-03-05
Release date:2013-01-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6SV1
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BU of 6sv1 by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 E34A variant
Descriptor: CALCIUM ION, Encapsulated Ferritin, FE (III) ION
Authors:Marles-Wright, J, He, D.
Deposit date:2019-09-17
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Dissecting the structural and functional roles of a putative metal entry site in encapsulated ferritins.
J.Biol.Chem., 295, 2020
8CQS
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BU of 8cqs by Molmil
Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_0217)
Descriptor: FLAVIN MONONUCLEOTIDE, Nitroreductase-like protein, PHOSPHATE ION
Authors:Blaha, J, Gratzl, S, Mortensen, S.A, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M.
Deposit date:2023-03-07
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron
To Be Published

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