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5HN7
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BU of 5hn7 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1158
Descriptor: 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid, Farnesyl pyrophosphate synthase, putative
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
7DO7
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BU of 7do7 by Molmil
Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase(NAD and L-rhamnose bound-form)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase/reductase SDR, beta-L-rhamnopyranose
Authors:Yoshiwara, K, Watanabe, Y, Watanabe, S.
Deposit date:2020-12-12
Release date:2021-02-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of l-rhamnose 1-dehydrogenase involved in the nonphosphorylative pathway of l-rhamnose metabolism in bacteria.
Febs Lett., 595, 2021
4PH4
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BU of 4ph4 by Molmil
The crystal structure of Human VPS34 in complex with PIK-III
Descriptor: 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-05-04
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
7S7U
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BU of 7s7u by Molmil
Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound
Descriptor: iNicSnFR 3.0 Fluorescent Nicotine Sensor
Authors:Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
Descriptor: GLYCOGENIN-2, MAGNESIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-12-17
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
4UFP
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BU of 4ufp by Molmil
Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1
Descriptor: EPOXIDE HYDROLASE
Authors:Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
Deposit date:2015-03-17
Release date:2016-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
6R8U
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BU of 6r8u by Molmil
Escherichia coli AGPase in complex with AMP.
Descriptor: ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-04-02
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM
Biorxiv, 2020
4UML
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BU of 4uml by Molmil
Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain
Descriptor: GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2
Authors:Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2014-05-19
Release date:2014-05-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Gdap2
To be Published
4PI3
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BU of 4pi3 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Descriptor: Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Authors:Tochowicz, A, McKerrow, J.H.
Deposit date:2014-05-08
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
4UP6
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BU of 4up6 by Molmil
Crystal structure of the wild-type diacylglycerol kinase refolded in the lipid cubic phase
Descriptor: DIACYLGLYCEROL KINASE
Authors:Li, D, Caffrey, M.
Deposit date:2014-06-13
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.801 Å)
Cite:Renaturing Membrane Proteins in the Lipid Cubic Phase, a Nanoporous Membrane Mimetic.
Sci.Rep., 4, 2014
3V99
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BU of 3v99 by Molmil
S663D Stable-5-LOX in complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
4UHP
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BU of 4uhp by Molmil
Crystal structure of the pyocin AP41 DNase-Immunity complex
Descriptor: BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41
Authors:Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
Deposit date:2015-03-25
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UMS
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BU of 4ums by Molmil
The crystal structure of the seventh ScaB type I cohesin from Pseudobacteroides cellulosolvens
Descriptor: CELLULOSOMAL ANCHORING SCAFFOLDIN B
Authors:Cameron, K, Alves, V.D, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-05-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Combined Crystal Structure of a Type-I Cohesin, Mutation and Affinity-Binding Studies Reveal Structural Determinants of Cohesin-Dockerin Specificity
J.Biol.Chem., 290, 2015
7S7X
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BU of 7s7x by Molmil
Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein with varenicline bound
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, VARENICLINE, ...
Authors:Fan, C, Nichols, N.L, Luebbert, L, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure, Function, and Application of Bacterial ABC Transporters
Ph.D.Thesis,California Institute of Technology, 2020
6R9D
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BU of 6r9d by Molmil
Crystal structure of an asymmetric dimer of the N-terminal domain of Euprosthenops australis Major Ampullate Spidroin 1 (dragline silk)
Descriptor: Major ampullate spidroin 1, SULFATE ION
Authors:Knight, S.D, Jiang, W, Askarieh, G.
Deposit date:2019-04-03
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate.
Acta Crystallogr D Struct Biol, 75, 2019
6RC9
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BU of 6rc9 by Molmil
P1 Mycoplasma pneumoniae
Descriptor: Adhesin P1
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
4UOC
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BU of 4uoc by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: CINA, NICOTINATE MONONUCLEOTIDE
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-06-02
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
4PC0
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BU of 4pc0 by Molmil
Structure of the human RbAp48-MTA1(670-711) complex
Descriptor: CALCIUM ION, GLYCEROL, Histone-binding protein RBBP4, ...
Authors:Alqarni, S.S.M, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
7SH3
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BU of 7sh3 by Molmil
Crystal Structure of a VirB8-like Protein of Type IV Secretion System from Rickettsia typhi in Complex with a Synthetic VirB8 Miniprotein Binder
Descriptor: Synthetic VirB8 Miniprotein Binder, VirB8-like protein of type IV secretion system
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a VirB8-like Protein of Type IV Secretion System from Rickettsia typhi in Complex with a Synthetic VirB8 Miniprotein Binder
to be published
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
Descriptor: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-29
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
6RCZ
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BU of 6rcz by Molmil
The structure of Burkholderia pseudomallei trehalose-6-phosphatase
Descriptor: CHLORIDE ION, MAGNESIUM ION, Trehalose 6-phosphate phosphatase
Authors:Gourlay, L.J.
Deposit date:2019-04-12
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Functional and structural analysis of trehalose-6-phosphate phosphatase from Burkholderia pseudomallei: Insights into the catalytic mechanism.
Biochem.Biophys.Res.Commun., 523, 2020
4UOQ
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BU of 4uoq by Molmil
Nucleophile mutant (E324A) of beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04
Descriptor: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M.
Deposit date:2014-06-09
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium.
Mol. Microbiol., 2014
6R9T
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BU of 6r9t by Molmil
Cryo-EM structure of autoinhibited human talin-1
Descriptor: Talin-1
Authors:Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N.
Deposit date:2019-04-04
Release date:2019-10-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:The Architecture of Talin1 Reveals an Autoinhibition Mechanism.
Cell, 179, 2019
5HRZ
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BU of 5hrz by Molmil
Computationally Designed Trimer 1na0C3_3
Descriptor: TPR domain protein 1na0C3_3
Authors:Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
Deposit date:2016-01-24
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
4UOR
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BU of 4uor by Molmil
Structure of lipoteichoic acid synthase LtaS from Listeria monocytogenes in complex with glycerol phosphate
Descriptor: (2R)-2,3-dihydroxypropyl phosphate, LIPOTEICHOIC ACID SYNTHASE, MAGNESIUM ION
Authors:Campeotto, I, Freemont, P, Grundling, A.
Deposit date:2014-06-09
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system.
J. Biol. Chem., 289, 2014

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