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8XK6
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BU of 8xk6 by Molmil
S2A5 Fab bound to SFTSV glycoprotein Gn
Descriptor: Envelopment polyprotein, mAb S2A5 Fab heavy chain, mAb S2A5 Fab light chain
Authors:Deng, Z.
Deposit date:2023-12-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A broadly protective antibody targeting the glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection.
To Be Published
8XK5
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BU of 8xk5 by Molmil
SNB1G11 Fab bound to SFTSV glycoprotein Gn
Descriptor: Envelopment polyprotein, mAb SNB1G11 Fab heavy chain, mAb SNB1G11 Fab light chain
Authors:Deng, Z.
Deposit date:2023-12-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A broadly protective antibody targeting the glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection.
To Be Published
8XK8
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BU of 8xk8 by Molmil
N1D10 Fab bound to SFTSV glycoprotein-Gn
Descriptor: Envelopment polyprotein, mAb N1D10 Fab heavy chain, mAb N1D10 Fab light chain
Authors:Zhao, H, Deng, Z.
Deposit date:2023-12-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:A broadly protective antibody targeting the glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection.
To Be Published
8GYM
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BU of 8gym by Molmil
Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2022-09-23
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
3MXL
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BU of 3mxl by Molmil
Crystal structure of nitrososynthase from Micromonospora carbonacea var. africana
Descriptor: Nitrososynthase
Authors:Vey, J.L, Iverson, T.M.
Deposit date:2010-05-07
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure and mechanism of ORF36, an amino sugar oxidizing enzyme in everninomicin biosynthesis .
Biochemistry, 49, 2010
2MDQ
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BU of 2mdq by Molmil
A Novel 4/7-Conotoxin LvIA from Conus lividus that Selectively Blocks 3 2 vs. 6/3 2 3 Nicotinic Acetylcholine Receptors
Descriptor: Alpha-conotoxin-like
Authors:Schroeder, C.I.
Deposit date:2013-09-16
Release date:2014-02-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel alpha 4/7-conotoxin LvIA from Conus lividus that selectively blocks alpha 3 beta 2 vs. alpha 6/ alpha 3 beta 2 beta 3 nicotinic acetylcholine receptors.
Faseb J., 28, 2014
3H9O
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BU of 3h9o by Molmil
Phosphoinositide-dependent protein kinase 1 (PDK-1) in complex with compound 9
Descriptor: 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
Authors:Olland, A.M.
Deposit date:2009-04-30
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Benzo[c][2,7]naphthyridines as inhibitors of PDK-1
Bioorg.Med.Chem.Lett., 19, 2009
3ONF
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BU of 3onf by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
4XDZ
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BU of 4xdz by Molmil
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-20
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XDY
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BU of 4xdy by Molmil
Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-20
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XEH
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BU of 4xeh by Molmil
Apo structure of KARI from Ignisphaera aggregans
Descriptor: Ketol-acid reductoisomerase
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-23
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
3II5
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BU of 3ii5 by Molmil
The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor
Descriptor: B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION
Authors:Xu, W, Breger, D, Torres, N, Dutia, M, Powell, D, Ciszewski, G.
Deposit date:2009-07-31
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IND
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BU of 3ind by Molmil
Bace1 with the aminohydantoin Compound 29
Descriptor: (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3INE
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BU of 3ine by Molmil
Bace1 with the aminohydantoin Compound S-34
Descriptor: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3INF
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BU of 3inf by Molmil
Bace1 with the aminohydantoin Compound 37
Descriptor: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
Descriptor: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3INH
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BU of 3inh by Molmil
Bace1 with the aminohydantoin Compound R-58
Descriptor: (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3ONE
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BU of 3one by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
3ION
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BU of 3ion by Molmil
PDK1 in complex with Compound 8h
Descriptor: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
4JE0
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BU of 4je0 by Molmil
Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Descriptor: CALCIUM ION, Ser-Asp rich fibrinogen/bone sialoprotein-binding protein SdrD
Authors:Wang, X, Ge, J, Yang, M.
Deposit date:2013-02-25
Release date:2013-06-19
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Protein Cell, 4, 2013
4L7F
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BU of 4l7f by Molmil
Co-crystal Structure of JNK1 and AX13587
Descriptor: Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
Authors:Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7LC5
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BU of 7lc5 by Molmil
Crystal structure of epoxyqueuosine reductase QueH from Thermotoga maritima
Descriptor: CHLORIDE ION, Epoxyqueuosine reductase QueH, FE (III) ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-01-09
Release date:2021-11-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epoxyqueuosine Reductase QueH in the Biosynthetic Pathway to tRNA Queuosine Is a Unique Metalloenzyme.
Biochemistry, 60, 2021
4JDZ
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BU of 4jdz by Molmil
Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Descriptor: CALCIUM ION, Ser-Asp rich fibrinogen/bone sialoprotein-binding protein SdrD
Authors:Wang, X, Ge, J, Yang, M.
Deposit date:2013-02-25
Release date:2013-06-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Protein Cell, 4, 2013
2KC5
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BU of 2kc5 by Molmil
Solution Structure of HybE from Escherichia coli
Descriptor: Hydrogenase-2 operon protein hybE
Authors:Jin, C, Shao, X, Lu, J, Li, Y.
Deposit date:2008-12-17
Release date:2009-10-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Escherichia coli HybE reveals a novel fold
Proteins, 75, 2009

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