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PDB: 2866 results

8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
Descriptor: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
Authors:Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4UWL
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BU of 4uwl by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4MYY
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BU of 4myy by Molmil
Structure of a class 2 docking domain complex from modules CurG and CurH of the curacin A polyketide synthase
Descriptor: CurG, CurH fusion protein, SULFATE ION
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4N4P
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BU of 4n4p by Molmil
Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form I
Descriptor: Acylneuraminate lyase, CHLORIDE ION
Authors:Georgescauld, F, Popova, K, Gupta, A.J, Bracher, A, Engen, J.R, Hayer-Hartl, M, Hartl, F.U.
Deposit date:2013-10-08
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GroEL/ES chaperonin modulates the mechanism and accelerates the rate of TIM-barrel domain folding.
Cell(Cambridge,Mass.), 157, 2014
4MT1
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BU of 4mt1 by Molmil
Crystal Structure of the Neisseria gonorrhoeae MtrD Inner Membrane Multidrug Efflux Pump
Descriptor: Drug efflux protein
Authors:Su, C.-C, Bolla, J.R, Yu, E.W.
Deposit date:2013-09-18
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Crystal structure of the open state of the Neisseria gonorrhoeae MtrE outer membrane channel.
Plos One, 9, 2014
4N21
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BU of 4n21 by Molmil
Crystal structure of the GP2 Core Domain from the California Academy of Science Virus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GP2 Ectodomain
Authors:Malashkevich, V.N, Koellhoffer, J.F, Dai, Z, Toro, R, Lai, J.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-10-04
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species.
J.Mol.Biol., 426, 2014
4MT0
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BU of 4mt0 by Molmil
Crystal Structure of the Open State of the Neisseria gonorrhoeae MtrE Outer Membrane Channel
Descriptor: MtrE protein, SULFATE ION
Authors:Su, C.-C, Bolla, J.R, Yu, E.W.
Deposit date:2013-09-18
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Crystal structure of the open state of the Neisseria gonorrhoeae MtrE outer membrane channel.
Plos One, 9, 2014
4N4Q
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BU of 4n4q by Molmil
Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form II
Descriptor: Acylneuraminate lyase
Authors:Georgescauld, F, Popova, K, Gupta, A.J, Bracher, A, Engen, J.R, Hayer-Hartl, M, Hartl, F.U.
Deposit date:2013-10-08
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:GroEL/ES Chaperonin Modulates the Mechanism and Accelerates the Rate of TIM-Barrel Domain Folding.
Cell(Cambridge,Mass.), 157, 2014
4MZ0
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BU of 4mz0 by Molmil
Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A polyketide synthase
Descriptor: CALCIUM ION, CurL
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
6PFM
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BU of 6pfm by Molmil
Crystal structure of GDC-0927 bound to estrogen receptor alpha
Descriptor: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D.
Deposit date:2019-06-21
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
4NSH
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BU of 4nsh by Molmil
Carboplatin binding to HEWL in 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R.
Deposit date:2013-11-28
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NKG
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BU of 4nkg by Molmil
Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain
Descriptor: E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1
Authors:Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
Deposit date:2013-11-12
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
6DF6
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BU of 6df6 by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab
Descriptor: (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
Deposit date:2018-05-14
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6DFJ
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BU of 6dfj by Molmil
Crystal structure of anti-Zika antibody Z021 bound to DENV-1 envelope protein DIII
Descriptor: Dengue 1 Envelope DIII domain, anti-Zika antibody Z021, Heavy Chain, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2018-05-14
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates.
Cell Rep, 25, 2018
6DFN
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BU of 6dfn by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa
Descriptor: (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ...
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
Deposit date:2018-05-15
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6ZUJ
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BU of 6zuj by Molmil
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen).
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
Deposit date:2020-07-23
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
6ZSP
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BU of 6zsp by Molmil
Human serine racemase bound to ATP and malonate.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
Deposit date:2020-07-16
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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BU of 5ivc by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVB
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BU of 5ivb by Molmil
A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
Descriptor: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
Descriptor: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Descriptor: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVJ
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BU of 5ivj by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid]
Descriptor: 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016

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