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PDB: 89346 results

4TMK
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BU of 4tmk by Molmil
COMPLEX OF E. COLI THYMIDYLATE KINASE WITH THE BISUBSTRATE INHIBITOR TP5A
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, PROTEIN (THYMIDYLATE KINASE)
Authors:Lavie, A, Ostermann, N, Schlichting, I.
Deposit date:1998-08-31
Release date:1998-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for efficient phosphorylation of 3'-azidothymidine monophosphate by Escherichia coli thymidylate kinase.
Proc.Natl.Acad.Sci.USA, 95, 1998
6Z02
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BU of 6z02 by Molmil
Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV in surfo crystallization
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G, Betzel, C.
Deposit date:2020-05-07
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
5N47
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BU of 5n47 by Molmil
Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin
Descriptor: Fibronectin, Neutrophil gelatinase-associated lipocalin
Authors:Schiefner, A, Skerra, A.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen.
Structure, 26, 2018
4TN0
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Crystal Structure of the C-terminal Periplasmic Domain of Phosphoethanolamine Transferase EptC from Campylobacter jejuni
Descriptor: UPF0141 protein yjdB, ZINC ION
Authors:Fage, C.D, Brown, D, Boll, J.M, Keatinge-Clay, A.T, Trent, M.S.
Deposit date:2014-06-02
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic study of the phosphoethanolamine transferase EptC required for polymyxin resistance and motility in Campylobacter jejuni.
Acta Crystallogr.,Sect.D, 70, 2014
5N50
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BU of 5n50 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(4-chlorophenyl)sulfanylacetohydrazide
Descriptor: 2-(4-chlorophenyl)sulfanylethanehydrazide, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
5J4C
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BU of 5j4c by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with cisplatin (soaked) and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Melnikov, S.V, Soll, D, Steitz, T.A, Polikanov, Y.S.
Deposit date:2016-03-31
Release date:2016-04-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into RNA binding by the anticancer drug cisplatin from the crystal structure of cisplatin-modified ribosome.
Nucleic Acids Res., 44, 2016
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
7T3D
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BU of 7t3d by Molmil
CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ...
Authors:Han, J, Ward, A.B.
Deposit date:2021-12-07
Release date:2022-01-12
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
8P5T
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BU of 8p5t by Molmil
Single particle cryo-EM structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum
Descriptor: 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ...
Authors:Yang, L, Mechaly, A.M, Bellinzoni, M.
Deposit date:2023-05-24
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite:High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
6ZJW
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BU of 6zjw by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with galactose
Descriptor: Beta-galactosidase, beta-D-galactopyranose
Authors:Rutkiewicz, M, Bujacz, A, Bujacz, G.
Deposit date:2020-06-29
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
8SR0
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BU of 8sr0 by Molmil
CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 local refined
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ...
Authors:Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A.
Deposit date:2023-05-05
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
8SO3
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BU of 8so3 by Molmil
CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ...
Authors:Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A.
Deposit date:2023-04-28
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
6N2I
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BU of 6n2i by Molmil
Lon protease AAA+ domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA-binding ATP-dependent protease La
Authors:Botos, I, Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2018-11-13
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:New insights into structural and functional relationships between LonA proteases and ClpB chaperones.
Febs Open Bio, 9, 2019
8SZS
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BU of 8szs by Molmil
Cat DHX9 bound to GDP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9.
Slas Discov, 28, 2023
8P5V
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BU of 8p5v by Molmil
Single particle cryo-EM structure of homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum in complex with the product succinyl-CoA
Descriptor: 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ...
Authors:Yang, L, Mechaly, A.M, Bellinzoni, M.
Deposit date:2023-05-24
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.07 Å)
Cite:High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
8SS2
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BU of 8ss2 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
6N91
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BU of 6n91 by Molmil
Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCOFORMYCIN, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Welk, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-11-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin) (CASP target)
To Be Published
5H2I
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BU of 5h2i by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-10-15
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
4YEK
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BU of 4yek by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-02-24
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
6QA4
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BU of 6qa4 by Molmil
ERK2 mini-fragment binding
Descriptor: 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-18
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
5NAN
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BU of 5nan by Molmil
Crystal Structure of human IL-17AF in complex with human IL-17RA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-28
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
5NBA
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BU of 5nba by Molmil
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Descriptor: (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
Descriptor: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-02-26
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:6-phosphogluconolactonase from Trypanosoma cruzi
To be published
7TOP
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BU of 7top by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein PR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
6F5M
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BU of 6f5m by Molmil
Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor
Descriptor: 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ...
Authors:Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K.
Deposit date:2017-12-01
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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