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4M53
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BU of 4m53 by Molmil
Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDPCP
Descriptor: BETA-MERCAPTOETHANOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Lazopulo, A.M, Lazopulo, S.M, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
Deposit date:2013-08-07
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
4ZI6
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BU of 4zi6 by Molmil
Crystal structure of leucine aminopeptidase from Helicobacter pylori
Descriptor: BICARBONATE ION, Cytosol aminopeptidase, SODIUM ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2015-04-27
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for substrate specificity of Helicobacter pylori M17 aminopeptidase.
Biochimie, 121, 2016
5ZMJ
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BU of 5zmj by Molmil
Crystal structure of the Fab region of a neutralizing fully human antibody against GM-CSF
Descriptor: Heavy chain of a Fab fraction of human IgG, Light chain of a Fab fraction of human IgG, SODIUM ION, ...
Authors:Angkawidjaja, C, Torashima, T.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the Fab region of a neutralizing antibody against granulocyte-macrophage colony-stimulating factor.
Acta Crystallogr.,Sect.F, 75, 2019
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2018-08-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
5ZCP
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BU of 5zcp by Molmil
azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 2 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-02-19
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
5YWV
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BU of 5ywv by Molmil
Crystal structure of TREX1 in complex with a inosine contained ssDNA
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INOSINE CONTAINED SSDNA, ...
Authors:Hsiao, Y.Y.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for overhang excision and terminal unwinding of DNA duplexes by TREX1
PLoS Biol., 16, 2018
5OPD
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BU of 5opd by Molmil
Structure of phosphorylated EF-Tu in complex with GTP
Descriptor: Elongation factor Tu 1, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Garcia-Pino, A.
Deposit date:2017-08-09
Release date:2018-08-29
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of phosphorylated EF-Tu in complex with GTP
To Be Published
5Z5O
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BU of 5z5o by Molmil
Structure of Pycnonodysostosis disease related I249T mutant of human cathepsin K
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Biswas, S, Roy, S.
Deposit date:2018-01-19
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Not all pycnodysostosis-related mutants of human cathepsin K are inactive - crystal structure and biochemical studies of an active mutant I249T.
FEBS J., 285, 2018
5Z86
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BU of 5z86 by Molmil
azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-01-31
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
5ZCQ
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BU of 5zcq by Molmil
Azide-bound cytochrome c oxidase structure determined using the crystals exposed to 10 mM azide solution for 2 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-02-19
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
3IAP
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BU of 3iap by Molmil
E. coli (lacZ) beta-galactosidase (E416Q)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E.
Deposit date:2009-07-14
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
4Z9N
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BU of 4z9n by Molmil
ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound
Descriptor: 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-04-10
Release date:2015-06-17
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:ABC transporter / periplasmic binding protein from Brucella ovis with glutathione bound
To Be Published
4CDB
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BU of 4cdb by Molmil
Crystal structure of listeriolysin O
Descriptor: ACETATE ION, LISTERIOLYSIN O, SODIUM ION, ...
Authors:Koester, S, Yildiz, O.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Listeriolysin O Reveals Molecular Details of Oligomerization and Pore Formation
Nat.Commun., 5, 2014
5IIO
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BU of 5iio by Molmil
Crystal structure of the DNA polymerase lambda binary complex
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2016-03-01
Release date:2016-08-17
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
5ABJ
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BU of 5abj by Molmil
Structure of Coxsackievirus A16 in complex with GPP3
Descriptor: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
Authors:De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I.
Deposit date:2015-08-06
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.
Plos Pathog., 11, 2015
4Q92
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BU of 4q92 by Molmil
1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289
Descriptor: Betaine aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-04-28
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
6DMC
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BU of 6dmc by Molmil
ppGpp Riboswitch bound to ppGpp, native structure
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Peselis, A, Serganov, A.
Deposit date:2018-06-04
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
Authors:Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
Deposit date:2018-07-27
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
5B15
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BU of 5b15 by Molmil
Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
Descriptor: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ...
Authors:Wachino, J, Arakawa, Y.
Deposit date:2015-11-23
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
To Be Published
4EKW
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BU of 4ekw by Molmil
Crystal structure of the NavAb voltage-gated sodium channel (wild-type, 3.2 A)
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, PHOSPHATE ION
Authors:Payandeh, J, Gamal El-Din, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2012-04-10
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of a voltage-gated sodium channel in two potentially inactivated states.
Nature, 486, 2012
5JYD
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BU of 5jyd by Molmil
Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-13
Release date:2016-06-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TBD
to be published
6AMH
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BU of 6amh by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
5JXJ
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BU of 5jxj by Molmil
Structure of the proprotein convertase furin complexed to meta-guanidinomethyl-Phac-RVR-Amba in presence of EDTA
Descriptor: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
6I08
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BU of 6i08 by Molmil
THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243C-I201W
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2018-10-25
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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