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1MUE
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BU of 1mue by Molmil
Thrombin-Hirugen-L405,426
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.
登録日2002-09-23
公開日2004-04-06
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
5D7B
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BU of 5d7b by Molmil
Trigonal Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum
分子名称: GLYCEROL, Homoserine O-acetyltransferase
著者Niefind, K, Toelzer, C, Pal, S, Altenbuchner, J, Watzlawick, H.
登録日2015-08-13
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
5E4Y
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BU of 5e4y by Molmil
Orthorhombic structure of the acetyl esterase MekB
分子名称: Homoserine O-acetyltransferase
著者Niefind, K, Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J.
登録日2015-10-07
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
5EFZ
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BU of 5efz by Molmil
Monoclinic structure of the acetyl esterase MekB
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J, Niefind, K.
登録日2015-10-26
公開日2015-12-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
著者Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
登録日2021-11-30
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
著者Concha, N.O, William, S.P, Wenzel, D.L.
登録日2021-11-30
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
5N7T
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BU of 5n7t by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rowland, P.
登録日2017-02-21
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
8BWF
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BU of 8bwf by Molmil
PTBP1 RRM1 bound to an allosteric inhibitor
分子名称: AMINO GROUP, GLYCEROL, Ligand, ...
著者Schmeing, S, Vetter, I, t Hart, P, Gasper, R.
登録日2022-12-06
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rationally designed stapled peptides allosterically inhibit PTBP1-RNA-binding.
Chem Sci, 14, 2023
5F6Z
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BU of 5f6z by Molmil
Sandercyanin Fluorescent Protein purified from Sander vitreus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein
著者Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R.
登録日2015-12-07
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Blue protein with red fluorescence
Proc.Natl.Acad.Sci.USA, 113, 2016
6HI1
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BU of 6hi1 by Molmil
PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol
分子名称: 3-(6-morpholin-4-ylpyridin-2-yl)phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Summers, D, Peace, S.
登録日2018-08-29
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
6HI9
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BU of 6hi9 by Molmil
PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol
分子名称: 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Summers, D, Peace, S.
登録日2018-08-29
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
6HI2
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BU of 6hi2 by Molmil
PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol
分子名称: 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Summers, D, Peace, S.
登録日2018-08-29
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
to be published
5D6O
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BU of 5d6o by Molmil
Orthorhombic Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum
分子名称: CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
著者Niefind, K, Toelzer, C, Altenbuchner, J, Watzlawick, H.
登録日2015-08-12
公開日2015-12-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016

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件を2024-05-29に公開中

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