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4KHM
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BU of 4khm by Molmil
HCV NS5B GT1A with GSK5852
Descriptor: HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-30
Release date:2013-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KBI
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BU of 4kbi by Molmil
HCV NS5B GT1B N316Y with CMPD 4
Descriptor: 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-23
Release date:2013-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KAI
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BU of 4kai by Molmil
HCV NS5B GT1B N316 with GSK5852A
Descriptor: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-22
Release date:2013-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
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BU of 4ke5 by Molmil
HCV NS5B GT1B N316Y with GSK5852
Descriptor: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
Authors:Williams, S.P, Kahler, K.M, Shotwell, J.B.
Deposit date:2013-04-25
Release date:2013-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
2X3X
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BU of 2x3x by Molmil
structure of mouse syndapin I (crystal form 1)
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
Deposit date:2010-01-28
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X3W
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BU of 2x3w by Molmil
structure of mouse syndapin I (crystal form 2)
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Saenger, W, Haucke, V.
Deposit date:2010-01-28
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X3V
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BU of 2x3v by Molmil
Structure of The F-BAR Domain of Mouse Syndapin I
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
Deposit date:2010-01-27
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
1HYR
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BU of 1hyr by Molmil
CRYSTAL STRUCTURE OF HUMAN MICA IN COMPLEX WITH NATURAL KILLER CELL RECEPTOR NKG2D
Descriptor: MHC CLASS I CHAIN-RELATED PROTEIN A, NKG2-D TYPE II INTEGRAL MEMBRANE PROTEIN
Authors:Li, P, Strong, R.K.
Deposit date:2001-01-21
Release date:2001-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Complex structure of the activating immunoreceptor NKG2D and its MHC class I-like ligand MICA.
Nat.Immunol., 2, 2001
8QZP
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BU of 8qzp by Molmil
Structure of the non-mitochondrial citrate synthase from Ananas comosus
Descriptor: Citrate synthase
Authors:Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G.
Deposit date:2023-10-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Frequent transitions in self-assembly across the evolution of a central metabolic enzyme.
Biorxiv, 2024
8QWB
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BU of 8qwb by Molmil
Crystal structure of citrate synthase from Methylophaga sulfidovorans
Descriptor: Citrate synthase
Authors:Mais, C.-N, Bange, G, Sendker, F.L, Hochberg, G.
Deposit date:2023-10-19
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Frequent evolutionary transitions in homo-oligomeric assembly across the phylogeny of bacterial citrate synthases.
To Be Published
5MZL
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BU of 5mzl by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule N-quinolin-5-ylpyridine-3-carboxamide
Descriptor: GLYCEROL, Pimtide, Serine/threonine-protein kinase pim-1, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4O
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BU of 5n4o by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule (E)-3-(p-tolyl)acrylic acid
Descriptor: (~{E})-3-(4-methylphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4U
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BU of 5n4u by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
Descriptor: 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N5M
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BU of 5n5m by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium
Descriptor: Pimtide, Serine/threonine-protein kinase pim-1, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N52
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BU of 5n52 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2,3-dimethoxyphenyl)acrylic acid
Descriptor: (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N50
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BU of 5n50 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(4-chlorophenyl)sulfanylacetohydrazide
Descriptor: 2-(4-chlorophenyl)sulfanylethanehydrazide, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4Y
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BU of 5n4y by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2,5-dihydro-1H-isothiochromeno[3,4-d]pyrazol-3-one
Descriptor: 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N5L
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BU of 5n5l by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-bromo-1H-indole-3-carboxylate
Descriptor: 5-bromanyl-1~{H}-indole-3-carboxylic acid, GLYCEROL, Pimtide, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5NDT
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BU of 5ndt by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2-(thiophen-2-yl)vinyl)-3,4-dihydroquinoxalin-2(1H)-one
Descriptor: 3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one, GLYCEROL, Pimtide, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-03-09
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4R
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BU of 5n4r by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(azepan-1-yl)-1-(1H-indol-3-yl)propan-1-one
Descriptor: 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one, GLYCEROL, Pimtide, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4Z
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BU of 5n4z by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-4-(4-hydroxyphenyl)but-3-en-2-one
Descriptor: (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N51
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BU of 5n51 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-Dibromothiophene-2-carboxylic acid
Descriptor: 3,4-bis(bromanyl)thiophene-2-carboxylic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
2XZG
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BU of 2xzg by Molmil
Clathrin Terminal Domain Complexed with Pitstop 1
Descriptor: 2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE, ACETATE ION, CLATHRIN HEAVY CHAIN 1, ...
Authors:Bulut, H, Von Kleist, L, Saenger, W, Haucke, V.
Deposit date:2010-11-25
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition.
Cell(Cambridge,Mass.), 146, 2011
5N4N
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BU of 5n4n by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
Descriptor: 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5N4X
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BU of 5n4x by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 4,5-dibromothiophene-2-carbohydrazide
Descriptor: 4,5-bis(bromanyl)thiophene-2-carbohydrazide, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published

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数据于2024-08-28公开中

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