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5EOA
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Crystal structure of OPTN E50K mutant and TBK1 complex
分子名称: Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-10
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
4H2O
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BU of 4h2o by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
分子名称: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
分子名称: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4H3A
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BU of 4h3a by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
分子名称: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1F8Q
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BU of 1f8q by Molmil
CRYSTAL STRUCTURE OF ALPHA-MOMORCHARIN IN ACETONITRILE-WATER MIXTURE
分子名称: ACETONITRILE, ALPHA-MOMORCHARIN, PENTANEDIAL, ...
著者Zhu, G, Huang, Q, Qian, M, Tang, Y.
登録日2000-07-03
公開日2000-07-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of alpha-momorcharin in 80% acetonitrile--water mixture
BIOCHIM.BIOPHYS.ACTA, 1548, 2001
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
分子名称: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
5GZE
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BU of 5gze by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
分子名称: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
7SC5
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BU of 7sc5 by Molmil
Cytoplasmic tail deleted HIV Env trimer in nanodisc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Yang, S, Walz, T.
登録日2021-09-27
公開日2022-11-09
最終更新日2023-02-22
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Dynamic HIV-1 spike motion creates vulnerability for its membrane-bound tripod to antibody attack.
Nat Commun, 13, 2022
7SD3
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BU of 7sd3 by Molmil
Cytoplasmic tail deleted HIV-1 Env bound with three 4E10 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4E10 Fab heavy chain, ...
著者Yang, S, Walz, T.
登録日2021-09-29
公開日2022-11-09
最終更新日2023-02-22
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Dynamic HIV-1 spike motion creates vulnerability for its membrane-bound tripod to antibody attack.
Nat Commun, 13, 2022
1HNY
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BU of 1hny by Molmil
The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with related enzymes
分子名称: CALCIUM ION, CHLORIDE ION, HUMAN PANCREATIC ALPHA-AMYLASE
著者Luo, Y, Brayer, G.D.
登録日1995-06-28
公開日1996-03-08
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of human pancreatic alpha-amylase at 1.8 A resolution and comparisons with related enzymes.
Protein Sci., 4, 1995
4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
分子名称: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Zhu, W, Oldfield, E.
登録日2012-09-22
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3MXF
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BU of 3mxf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-05-07
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
5GZG
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BU of 5gzg by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
分子名称: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
著者Su, J.Y, Si, Y.L.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
分子名称: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
分子名称: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
5GZC
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BU of 5gzc by Molmil
Crystal structure of Galectin-8 N-CRD with part of linker
分子名称: GLYCEROL, Galectin-8, SODIUM ION
著者Su, J.Y, Si, Y.L.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GZD
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BU of 5gzd by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
分子名称: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2016-09-28
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2018-01-02
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5CX3
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BU of 5cx3 by Molmil
Crystal structure of FYCO1 LIR in complex with LC3A
分子名称: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Cheng, X, Pan, L.
登録日2015-07-28
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins.
Autophagy, 12, 2016
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012

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