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6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Wang, Z.
登録日2017-10-09
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
1OS1
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BU of 1os1 by Molmil
Structure of Phosphoenolpyruvate Carboxykinase complexed with ATP,Mg, Ca and pyruvate.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Sudom, A, Walters, R, Pastushok, L, Goldie, D, Prasad, L, Delbaere, L.T, Goldie, H.
登録日2003-03-18
公開日2003-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of activation of phosphoenolpyruvate carboxykinase from Escherichia coli by Ca2+ and of desensitization by trypsin.
J.BACTERIOL., 185, 2003
5UD8
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BU of 5ud8 by Molmil
Crystal Structure of Mutant Ig-like Domain
分子名称: Triggering receptor expressed on myeloid cells 2
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
5UD7
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BU of 5ud7 by Molmil
Crystal Structure of Wild-Type Ig-like Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, SULFATE ION, ...
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.20002246 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
8TJC
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BU of 8tjc by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a
分子名称: (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Min, X.
登録日2023-07-20
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
分子名称: 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, Immunoglobulin heavy constant gamma 2
著者Sudom, A, Whittington, D, Garces, F, Wang, Z.
登録日2021-02-23
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
7LUR
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BU of 7lur by Molmil
Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
分子名称: Immunoglobulin heavy constant gamma 1, Mini Z domain
著者Sudom, A, Garces, F, Wang, Z.
登録日2021-02-23
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
7REW
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BU of 7rew by Molmil
Crystal Structure of IL-13 in complex with MMAb3 Fab
分子名称: IL13, anti-cyno interleukin 13 Fab heavy chain, anti-cyno interleukin 13 Fab light chain
著者Sudom, A, Min, X.
登録日2021-07-13
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of a potent high-affinity human therapeutic antibody via novel application of recombination signal sequence-based affinity maturation.
J.Biol.Chem., 298, 2022
8SZ3
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BU of 8sz3 by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ...
著者Sudom, A, Min, X.
登録日2023-05-26
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
8TIC
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BU of 8tic by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ...
著者Sudom, A, Min, X.
登録日2023-07-19
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
3BZU
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BU of 3bzu by Molmil
Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone inhibitor
分子名称: (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Min, X, Sudom, A, Xu, H, Wang, Z, Walker, N.P.
登録日2008-01-18
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor.
Chem.Biol.Drug Des., 71, 2008
4RMZ
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BU of 4rmz by Molmil
Crystal Structure of IRAK-4
分子名称: 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide, Interleukin-1 receptor-associated kinase 4
著者Johnstone, S, Sudom, A, Liu, J, Walker, N.P, Wang, Z.
登録日2014-10-22
公開日2016-01-13
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper
To be Published
3OQ1
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BU of 3oq1 by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor
分子名称: 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2010-09-02
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3GZ9
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BU of 3gz9 by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist
分子名称: (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-06
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3H0A
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BU of 3h0a by Molmil
Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist
分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2009-04-08
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.
Bioorg.Med.Chem.Lett., 19, 2009
3PDJ
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BU of 3pdj by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2010-10-22
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
4DN5
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BU of 4dn5 by Molmil
Crystal Structure of NF-kB-inducing Kinase (NIK)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
著者Min, X, Liu, J, Sudom, A, Walker, N.P, Wang, Z.
登録日2012-02-08
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation
J.Biol.Chem., 287, 2012
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4IDT
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BU of 4idt by Molmil
Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4IDV
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BU of 4idv by Molmil
Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V)
分子名称: 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
3D4N
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BU of 3d4n by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor
分子名称: 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Liu, J, Sudom, A, Walker, N.P.
登録日2008-05-14
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3D3E
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BU of 3d3e by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Liu, J, Walker, N.P.
登録日2008-05-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3FCO
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BU of 3fco by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-11-21
公開日2009-12-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3CZR
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BU of 3czr by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
分子名称: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-04-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008

 

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