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4YN4
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BU of 4yn4 by Molmil
Structure of human DNA polymerase beta complexed with N7BG in the template opposite to incoming non-hydrolyzable dTTP WITH MANGANESE IN THE ACTIVE SITE
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA 10-mer (up-primer), DNA 16-mer (template), ...
Authors:Lee, S, Koag, M.-C.
Deposit date:2015-03-09
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
5TXO
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BU of 5txo by Molmil
STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
Authors:Das, K, Martinez, S.M, Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
6C5T
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BU of 6c5t by Molmil
PPARg LBD bound to SR11023
Descriptor: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Frkic, R.L, Griffin, P.R.
Deposit date:2018-01-16
Release date:2018-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix.
iScience, 5, 2018
2NRZ
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BU of 2nrz by Molmil
Crystal structure of the C-terminal half of UvrC bound to its catalytic divalent cation
Descriptor: MANGANESE (II) ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
6C7Y
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BU of 6c7y by Molmil
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Liau, N.P.D, Laktyushin, A, Lucet, I.S, Murphy, J.M, Yao, S, Callaghan, K, Nicola, N.A, Kershaw, N.J, Babon, J.J.
Deposit date:2018-01-23
Release date:2018-05-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
4WKH
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BU of 4wkh by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
2NV9
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BU of 2nv9 by Molmil
The X-ray Crystal Structure of the Paramecium bursaria Chlorella virus arginine decarboxylase
Descriptor: A207R protein, arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A.
Deposit date:2006-11-11
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity.
Biochemistry, 46, 2007
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
5TRM
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BU of 5trm by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
Descriptor: Histone acetyltransferase KAT2A
Authors:Guo, Y.R, Tao, Y.J.
Deposit date:2016-10-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
4WGX
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BU of 4wgx by Molmil
Crystal Structure of Molinate Hydrolase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COBALT (II) ION, Molinate hydrolase
Authors:Sugrue, E, Carr, P.D, Fraser, N.J, Hopkins, D.H, Jackson, C.J.
Deposit date:2014-09-19
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
6BNH
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BU of 6bnh by Molmil
Solution NMR structures of BRD4 ET domain with JMJD6 peptide
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4
Authors:Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L.
Deposit date:2017-11-16
Release date:2017-12-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
5TSX
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BU of 5tsx by Molmil
HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, HIV-1 CA protein, Nuclear pore complex protein Nup153
Authors:Skorupka, K, Ganser-Pornillos, B.K, Pornillos, O.
Deposit date:2016-10-31
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:HIV-1 CA hexamer with NUP153 peptide - P1 crystal form
To Be Published
6CBK
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BU of 6cbk by Molmil
X-ray structure of NeoB from Streptomyces fradiae in complex with PMP
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Neamine transaminase NeoN, ...
Authors:Thoden, J.B, Dow, G.T, Holden, H.M.
Deposit date:2018-02-03
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
4WJE
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BU of 4wje by Molmil
Crystal structure of Trichomonas vaginalis triosephosphate isomerase V45A at 1.3 Angstroms
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Jimenez-Sandoval, P, Rojas-Mendez, K, Lara-Gonzalez, S, Brieba, L.G.
Deposit date:2014-09-29
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.285 Å)
Cite:Crystal structure of Trichomonas vaginalis triosephosphate isomerase V45A at 1.3 Angstroms
To Be Published
4WJN
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BU of 4wjn by Molmil
Crystal structure of SUMO1 in complex with phosphorylated PML
Descriptor: Protein PML, Small ubiquitin-related modifier 1
Authors:Cappadocia, L, Mascle, X.H, Bourdeau, V, Tremblay-Belzile, S, Chaker-Margot, M, Lussier-Price, M, Wada, J, Sakaguchi, K, Aubry, M, Ferbeyre, G, Omichinski, J.G.
Deposit date:2014-10-01
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1.
Structure, 23, 2015
2O8Y
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BU of 2o8y by Molmil
Apo IRAK4 Kinase Domain
Descriptor: Interleukin-1 receptor-associated kinase 4
Authors:Boriack-Sjodin, P.A, Mol, C.
Deposit date:2006-12-12
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the apo and inhibited IRAK4 kinase domain
To be Published
4WJV
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BU of 4wjv by Molmil
Crystal structure of Rsa4 in complex with the Nsa2 binding peptide
Descriptor: Maltose-binding periplasmic protein, Ribosome assembly protein 4, Ribosome biogenesis protein NSA2, ...
Authors:Holdermann, I, Paternoga, H, Bassler, J, Hurt, E, Sinning, I.
Deposit date:2014-10-01
Release date:2014-11-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation.
J.Cell Biol., 207, 2014
6BQ1
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BU of 6bq1 by Molmil
Human PI4KIIIa lipid kinase complex
Descriptor: 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ...
Authors:Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M.
Deposit date:2017-11-27
Release date:2017-12-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2OC4
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BU of 2oc4 by Molmil
Crystal structure of human purine nucleoside phosphorylase mutant H257D with Imm-H
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
Deposit date:2006-12-20
Release date:2007-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase
Biochemistry, 46, 2007
6BRS
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BU of 6brs by Molmil
The Crystal Structure of the Ferredoxin Protease FusC in complex with Arabidopsis Ferredoxin, Ethylmercury phosphate soaked dataset
Descriptor: Ferredoxin-2, chloroplastic, MERCURY (II) ION, ...
Authors:Grinter, R.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:FusC, a member of the M16 protease family acquired by bacteria for iron piracy against plants.
PLoS Biol., 16, 2018
6BWX
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BU of 6bwx by Molmil
Atomic resolution structure of human bufavirus 1
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-12-15
Release date:2018-01-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
2OE5
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BU of 2oe5 by Molmil
1.5 A X-ray crystal structure of Apramycin complex with RNA fragment GGCGUCGCUAGUACCG/GGUACUAAAAGUCGCCC containing the human ribosomal decoding A site: RNA construct with 3'-overhang
Descriptor: APRAMYCIN, MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*GP*UP*CP*GP*CP*UP*AP*GP*UP*AP*CP*CP*G)-3'), ...
Authors:Hermann, T, Tereshko, V, Skripkin, E, Patel, D.J.
Deposit date:2006-12-28
Release date:2007-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Apramycin recognition by the human ribosomal decoding site.
Blood Cells Mol.Dis., 38, 2007
5TWR
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BU of 5twr by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
2OEX
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BU of 2oex by Molmil
Structure of ALIX/AIP1 V Domain
Descriptor: Programmed cell death 6-interacting protein
Authors:Fisher, R.D, Zhai, Q, Robinson, H, Hill, C.P.
Deposit date:2007-01-01
Release date:2007-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and Biochemical Studies of ALIX/AIP1 and Its Role in Retrovirus Budding
Cell(Cambridge,Mass.), 128, 2007
5TXV
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BU of 5txv by Molmil
HslU P21 cell with 4 hexamers
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU
Authors:Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T.
Deposit date:2016-11-17
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (7.086 Å)
Cite:Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017

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