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6GB6
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BU of 6gb6 by Molmil
Structure of H-2Kb with dipeptide GL
Descriptor: Beta-2-microglobulin, GLYCEROL, GLYCINE, ...
Authors:Hafstrand, I, Sandalova, T, Achour, A.
Deposit date:2018-04-13
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin.
Proc.Natl.Acad.Sci.USA, 116, 2019
3WGJ
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BU of 3wgj by Molmil
STAPHYLOCOCCUS AUREUS FTSZ T7 chimera mutant, T7Bs
Descriptor: CALCIUM ION, Cell division protein FtsZ
Authors:Matsui, T, Tanaka, I, Yao, M.
Deposit date:2013-08-06
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop
J.Biol.Chem., 289, 2014
3WGN
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BU of 3wgn by Molmil
STAPHYLOCOCCUS AUREUS FTSZ bound with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ
Authors:Matsui, T, Mogi, N, Tanaka, I, Yao, M.
Deposit date:2013-08-06
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Structural change in FtsZ Induced by intermolecular interactions between bound GTP and the T7 loop
J.Biol.Chem., 289, 2014
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Descriptor: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A, Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
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
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
5J5N
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BU of 5j5n by Molmil
Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase PtGSTU30 in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione transferase family protein
Authors:Yang, Q, Gu, J, Yang, M, Zeng, Q.
Deposit date:2016-04-03
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.629 Å)
Cite:Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
5J4U
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BU of 5j4u by Molmil
Crystal structure of a glutathione S-transferase PtGSTU30 from Populus trichocarpa in complex with GSH
Descriptor: GLUTATHIONE, Glutathione transferase family protein
Authors:Yang, Q, Gu, J, Yang, M, Zeng, Q.
Deposit date:2016-04-01
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
Descriptor: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.B.
Deposit date:2016-10-03
Release date:2017-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
Descriptor: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E, Popov, A.
Deposit date:2016-10-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-13
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
3LPC
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BU of 3lpc by Molmil
Crystal structure of a subtilisin-like protease
Descriptor: ACETATE ION, AprB2, CALCIUM ION, ...
Authors:Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
Deposit date:2010-02-05
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
3LPA
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BU of 3lpa by Molmil
Crystal structure of a subtilisin-like protease
Descriptor: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION
Authors:Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
Deposit date:2010-02-05
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
3LPD
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BU of 3lpd by Molmil
Crystal structure of a subtilisin-like protease
Descriptor: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION
Authors:Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
Deposit date:2010-02-05
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
6B5V
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BU of 6b5v by Molmil
Structure of TRPV5 in complex with econazole
Descriptor: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Lodowski, D.T, Huynh, K.W, Yazici, A, del Rosario, J, Kapoor, A, Basak, S, Samanta, A, Chakrapani, S, Zhou, Z.H, Filizola, M, Rohacs, T, Han, S, Moiseenkova-Bell, V.Y.
Deposit date:2017-09-29
Release date:2017-12-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
6IFE
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BU of 6ife by Molmil
A Glycoside Hydrolase Family 43 beta-Xylosidase
Descriptor: Beta-xylosidase, GLYCEROL
Authors:Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X.
Deposit date:2018-09-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations.
Food Chem, 301, 2019
6I8C
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BU of 6i8c by Molmil
Crystal structure of the murine beta-2-microglobulin.
Descriptor: Beta-2-microglobulin, TRIETHYLENE GLYCOL
Authors:Achour, A, Sandalova, T, Ricagno, S, Sun, R.
Deposit date:2018-11-20
Release date:2019-10-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity.
Febs J., 287, 2020
5DBG
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BU of 5dbg by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+
Descriptor: Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, W.D, Hu, Y.M, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5D8W
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BU of 5d8w by Molmil
Structrue of a lucidum protein
Descriptor: Endoglucanase
Authors:Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
5DBF
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BU of 5dbf by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH
Descriptor: Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5DBI
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BU of 5dbi by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial
Descriptor: (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
Descriptor: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
Authors:Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013

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