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4V0Q
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BU of 4v0q by Molmil
Dengue Virus Full Length NS5 Complexed with SAH
Descriptor: ACETATE ION, GLYCEROL, NS5 POLYMERASE, ...
Authors:Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
Deposit date:2014-09-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
7ZDU
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BU of 7zdu by Molmil
Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC)/ATP(CydD) bound state (Dataset-19)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
4V2S
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BU of 4v2s by Molmil
Crystal structure of Hfq in complex with the sRNA RydC
Descriptor: RNA-BINDING PROTEIN HFQ, RYDC
Authors:Dimastrogiovanni, D, Frohlich, K.S, Bruce, H.A, Bandyra, K.J, Hohensee, S, Vogel, J, Luisi, B.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Recognition of the small regulatory RNA RydC by the bacterial Hfq protein.
Elife, 3, 2014
4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
Descriptor: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
Authors:Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
4UUJ
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POTASSIUM CHANNEL KCSA-FAB WITH TETRAHEXYLAMMONIUM
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
Authors:Lenaeus, M.J, Burdette, D, Wagner, T, Focia, P.J, Gross, A.
Deposit date:2014-07-29
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
4V39
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Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis
Descriptor: SIALYLTRANSFERASE
Authors:Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
Deposit date:2014-10-17
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
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
4V0W
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BU of 4v0w by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-669)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
4UWK
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BU of 4uwk 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: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
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 (2.83 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
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
4UXH
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BU of 4uxh by Molmil
Leishmania major Thymidine Kinase in complex with AP5dT
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDINE KINASE, ZINC ION
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4V1X
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BU of 4v1x by Molmil
The structure of the hexameric atrazine chlorohydrolase, AtzA
Descriptor: ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION
Authors:Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
Deposit date:2014-10-04
Release date:2015-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
4UYI
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BU of 4uyi by Molmil
Crystal structure of the BTB domain of human SLX4 (BTBD12)
Descriptor: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
4UXJ
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BU of 4uxj by Molmil
Leishmania major Thymidine Kinase in complex with dTTP
Descriptor: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4UXI
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BU of 4uxi by Molmil
Leishmania major Thymidine Kinase in complex with thymidine
Descriptor: PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ...
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4WH9
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BU of 4wh9 by Molmil
Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor
Descriptor: 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ...
Authors:Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T.
Deposit date:2014-09-20
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
4WH7
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BU of 4wh7 by Molmil
Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand
Descriptor: 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ...
Authors:Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T.
Deposit date:2014-09-20
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
Descriptor: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
4WHX
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BU of 4whx by Molmil
X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate
Descriptor: 1,2-ETHANEDIOL, ALANINE, Branched-chain-amino-acid transaminase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fairman, J.W, Dranow, D.M, Taylor, B.M, Lorimer, D, Edwards, T.E.
Deposit date:2014-09-23
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate
to be published
4WFA
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BU of 4wfa by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E.
Deposit date:2014-09-14
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.392 Å)
Cite:Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WL3
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BU of 4wl3 by Molmil
Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis
Descriptor: Bile salt hydrolase
Authors:Ramasamy, S, Chand, D, Suresh, C.G.
Deposit date:2014-10-06
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis
To Be Published
4WGF
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BU of 4wgf by Molmil
YcaC from Pseudomonas aeruginosa with hexane-2,5-diol and covalent acrylamide
Descriptor: (2R,5R)-hexane-2,5-diol, CHLORIDE ION, PROPIONAMIDE, ...
Authors:Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E.
Deposit date:2014-09-18
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34020686 Å)
Cite:Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
4WO2
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BU of 4wo2 by Molmil
CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
Descriptor: DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'), POTASSIUM ION
Authors:wei, D, parkinson, g.n, neidle, s.
Deposit date:2014-10-15
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT-1 PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
TO BE PUBLISHED
8C7G
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BU of 8c7g by Molmil
Drosophila melanogaster Rab7 GEF complex Mon1-Ccz1-Bulli
Descriptor: Caffeine, calcium, zinc sensitivity 1, ...
Authors:Schaefer, J, Herrmann, E, Kuemmel, D, Moeller, A.
Deposit date:2023-01-15
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the metazoan Rab7 GEF complex Mon1-Ccz1-Bulli.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CPO
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BU of 8cpo by Molmil
Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A
Descriptor: PolB16 Intein Cys-less
Authors:Kattelmann, S, Pasch, T, Mootz, H.D, Kuemmel, D.
Deposit date:2023-03-03
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins.
Chem Sci, 14, 2023

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