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5DDT
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BU of 5ddt by Molmil
Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2015-08-25
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
Descriptor: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
Descriptor: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
7D3M
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BU of 7d3m by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY R50
Descriptor: O/TIBET/99 VP1, O/TIBET/99 VP2, O/TIBET/99 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3K
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BU of 7d3k by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY B77
Descriptor: B77 VH, B77 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-20
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3L
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BU of 7d3l by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY F145
Descriptor: F145 VH, F145 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7E0B
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BU of 7e0b by Molmil
The crystal structure of sorting nexin 27 and PBM complex
Descriptor: PBM, Sorting nexin-27
Authors:Shang, G.J, Qi, J.X.
Deposit date:2021-01-27
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:SNX27 suppresses SARS-CoV-2 infection by inhibiting viral lysosome/late endosome entry.
Proc.Natl.Acad.Sci.USA, 119, 2022
8W7S
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BU of 8w7s by Molmil
Yeast replisome in state IV
Descriptor: Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D.
Deposit date:2023-08-31
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (7.39 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3SHZ
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BU of 3shz by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, T.T, Chen, T, Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SHY
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BU of 3shy by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, T.T, Chen, T, Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.647 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Chen, T.T, Chen, T, Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3OAW
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BU of 3oaw by Molmil
4-Methylpteridineones as Orally Active and Selective PI3K/mTOR Dual Inhibitors
Descriptor: 2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-08-05
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4WI2
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BU of 4wi2 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI7
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BU of 4wi7 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI8
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BU of 4wi8 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, ...
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI5
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BU of 4wi5 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI3
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BU of 4wi3 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI6
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BU of 4wi6 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI4
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BU of 4wi4 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI9
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BU of 4wi9 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ...
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4X1N
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BU of 4x1n by Molmil
The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1Q
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BU of 4x1q by Molmil
The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014

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數據於2024-05-15公開中

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