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5EOA
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BU of 5eoa by Molmil
Crystal structure of OPTN E50K mutant and TBK1 complex
Descriptor: Optineurin, Serine/threonine-protein kinase TBK1
Authors:Li, F, Xie, X, Liu, J, Pan, L.
Deposit date:2015-11-10
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.503 Å)
Cite: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
Descriptor: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
Descriptor: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 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
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: ACETONITRILE, ALPHA-MOMORCHARIN, PENTANEDIAL, ...
Authors:Zhu, G, Huang, Q, Qian, M, Tang, Y.
Deposit date:2000-07-03
Release date:2000-07-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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, ...
Authors:Yang, S, Walz, T.
Deposit date:2021-09-27
Release date:2022-11-09
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite: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
Descriptor: 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, ...
Authors:Yang, S, Walz, T.
Deposit date:2021-09-29
Release date:2022-11-09
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, HUMAN PANCREATIC ALPHA-AMYLASE
Authors:Luo, Y, Brayer, G.D.
Deposit date:1995-06-28
Release date:1996-03-08
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (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, ...
Authors: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)
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective inhibition of BET bromodomains.
Nature, 468, 2010
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-13
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite: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
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: GLYCEROL, Galectin-8, SODIUM ION
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Cheng, X, Pan, L.
Deposit date:2015-07-28
Release date:2016-08-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012

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数据于2024-07-24公开中

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