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PDB: 42439 件
4B70
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Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
分子名称: (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1
著者Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
登録日2012-08-16
公開日2013-06-26
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
5K7K
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Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
分子名称: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
著者Swain, N, Chrencik, J.
登録日2016-05-26
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
5K7R
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BU of 5k7r by Molmil
MicroED structure of trypsin at 1.7 A resolution
分子名称: CALCIUM ION, Cationic trypsin
著者de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
登録日2016-05-26
公開日2017-04-05
最終更新日2018-08-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.7 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
5JOV
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Bacteroides ovatus Xyloglucan PUL GH31 with bound 5FIdoF
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-fluoro-alpha-L-idopyranose, ...
著者Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
5K8W
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BU of 5k8w by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor U2
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor U2
To Be Published
1ANR
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BU of 1anr by Molmil
CIS-ACTING RNA REGULATORY ELEMENT (HIV-1 TAR), NMR, 20 STRUCTURES
分子名称: RNA REGULATORY ELEMENT TAR
著者Aboul-Ela, F, Varani, G, Karn, J.
登録日1996-07-06
公開日1997-01-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of HIV-1 TAR RNA in the absence of ligands reveals a novel conformation of the trinucleotide bulge.
Nucleic Acids Res., 24, 1996
4B77
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Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
分子名称: (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
著者Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
登録日2012-08-16
公開日2013-06-26
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
6GC6
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50S ribosomal subunit assembly intermediate state 2
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Nikolay, R, Hilal, T, Qin, B, Loerke, J, Buerger, J, Mielke, T, Spahn, C.M.T.
登録日2018-04-17
公開日2018-07-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural Visualization of the Formation and Activation of the 50S Ribosomal Subunit during In Vitro Reconstitution.
Mol. Cell, 70, 2018
156D
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BU of 156d by Molmil
REFINED SOLUTION STRUCTURE OF THE DIMERIC QUADRUPLEX FORMED FROM THE OXYTRICHA TELOMERIC OLIGONUCLEOTIDE D(GGGGTTTTGGGG)
分子名称: DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3')
著者Schultze, P, Smith, F.W, Feigon, J.
登録日1994-01-17
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined solution structure of the dimeric quadruplex formed from the Oxytricha telomeric oligonucleotide d(GGGGTTTTGGGG).
Structure, 2, 1994
5K8X
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Crystal structure of mouse CARM1 in complex with inhibitor U3
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-05-31
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor U3
To Be Published
6T9B
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BU of 6t9b by Molmil
Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside
分子名称: Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside
著者Houser, J, Komarek, J, Kozmon, S, Wimmerova, M.
登録日2019-10-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
5K7Q
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MicroED structure of thaumatin at 2.5 A resolution
分子名称: Thaumatin-1
著者de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
登録日2016-05-26
公開日2017-04-05
最終更新日2018-08-22
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
5PZU
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BU of 5pzu by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
分子名称: Fructose-1,6-bisphosphatase 1, {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
To be published
5Q08
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BU of 5q08 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(1-benzothiophen-3-ylsulfonyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(1-benzothiophen-3-ylsulfonyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
To be published
199L
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BU of 199l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
登録日1995-11-06
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
5K7T
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BU of 5k7t by Molmil
MicroED structure of thermolysin at 2.5 A resolution
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
著者de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
登録日2016-05-26
公開日2017-04-05
最終更新日2024-02-28
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
5PZX
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BU of 5pzx by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-methoxy-3-(2-methylpropyl)phenyl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-methoxy-3-(2-methylpropyl)phenyl]sulfonylurea
To be published
5JOZ
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Bacteroides ovatus Xyloglucan PUL GH43B
分子名称: CALCIUM ION, Non-reducing end alpha-L-arabinofuranosidase BoGH43B
著者Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
5GW0
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Crystal structure of SNX16 PX-Coiled coil
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
5PZZ
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BU of 5pzz by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-28
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
To be published
5K7O
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BU of 5k7o by Molmil
MicroED structure of lysozyme at 1.8 A resolution
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
登録日2016-05-26
公開日2017-04-05
最終更新日2018-08-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.8 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
5Q02
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BU of 5q02 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
To be published
5Q0C
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BU of 5q0c by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with f2,6p
To be published
12AS
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BU of 12as by Molmil
ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE AND AMP
分子名称: ADENOSINE MONOPHOSPHATE, ASPARAGINE, ASPARAGINE SYNTHETASE
著者Nakatsu, T, Kato, H, Oda, J.
登録日1997-12-02
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of asparagine synthetase reveals a close evolutionary relationship to class II aminoacyl-tRNA synthetase.
Nat.Struct.Biol., 5, 1998
5GW1
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Crystal structure of SNX16 PX-Coiled coil in space group P212121
分子名称: Sorting nexin-16
著者Xu, J, Liu, J.
登録日2016-09-08
公開日2017-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017

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