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4XOM
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BU of 4xom by Molmil
Coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain).
Descriptor: Coenzyme F420:L-glutamate ligase, SULFATE ION
Authors:Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
4XRZ
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BU of 4xrz by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ...
Authors:Johnson, E.F, Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
5YBM
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BU of 5ybm by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA
Descriptor: PrhA
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5Y2H
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BU of 5y2h by Molmil
Crystal structure of the oligomerization domain of NSP4 from the rotavirus strain MF66
Descriptor: Nonstructural protein 4
Authors:Suguna, K, Kumar, S.
Deposit date:2017-07-25
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New tetrameric forms of the rotavirus NSP4 with antiparallel helices.
Arch. Virol., 163, 2018
5YBR
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BU of 5ybr by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A3
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
5YD8
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BU of 5yd8 by Molmil
Crystal structure of human PCNA in complex with APIM of human ZRANB3
Descriptor: Proliferating cell nuclear antigen, ZRANB3
Authors:Hashimoto, H, Tagata, R.
Deposit date:2017-09-12
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of proliferating cell nuclear antigen (PCNA) bound to an APIM peptide reveals the universality of PCNA interaction.
Acta Crystallogr.,Sect.F, 74, 2018
4XWK
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BU of 4xwk by Molmil
P-glycoprotein co-crystallized with BDE-100
Descriptor: 2,4-dibromophenyl 2,4,6-tribromophenyl ether, Multidrug resistance protein 1A
Authors:McGrath, A.P, Rees, S.D, Chang, G.
Deposit date:2015-01-28
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure.
Sci Adv, 2, 2016
5YFX
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BU of 5yfx by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP
Descriptor: 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Ribose 1,5-bisphosphate isomerase
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
4XZ1
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BU of 4xz1 by Molmil
ZAP-70-tSH2:Compound-B adduct
Descriptor: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
Authors:Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
5Y72
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BU of 5y72 by Molmil
DMSPP Bound AmbP3
Descriptor: AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE
Authors:Wong, C.P, Awakawa, T, Nakashima, Y.
Deposit date:2017-08-16
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
5YPW
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BU of 5ypw by Molmil
Crystal structure of IlvN.Val-1b
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-03
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YQ8
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BU of 5yq8 by Molmil
Crystal structure of retroviral protease-like domain of Ddi1 from Leishmania major
Descriptor: DNA-damage inducible protein DDI1-like protein
Authors:Suguna, K, Kumar, S.
Deposit date:2017-11-06
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the retroviral protease-like domain of a protozoal DNA damage-inducible 1 protein.
FEBS Open Bio, 8, 2018
4Y28
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BU of 4y28 by Molmil
The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Mazor, Y, Brovikov, A, Nelson, N.
Deposit date:2015-02-09
Release date:2015-08-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Elife, 4, 2015
5XY4
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BU of 5xy4 by Molmil
CATPO mutant - V536W
Descriptor: CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase, ...
Authors:Yuzugullu Karakus, Y, Goc, G, Balci, S, Pearson, A.R, Yorke, B.
Deposit date:2017-07-06
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
5YEM
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BU of 5yem by Molmil
CATPO mutant - T188F
Descriptor: CALCIUM ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuzugullu Karakus, Y, Balci, S, Goc, G, Pearson, A.R, Yorke, B.
Deposit date:2017-09-18
Release date:2018-07-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
4XTM
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BU of 4xtm by Molmil
Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2015-01-23
Release date:2016-01-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a recombinant Vatairea macrocarpa seed lectin
Int.J.Biochem.Cell Biol., 2016
4Y1J
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BU of 4y1j by Molmil
Lactococcus lactis yybP-ykoY Mn riboswitch A41U binding site mutant in presence of Mn2+
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, STRONTIUM ION, ...
Authors:Price, I.R, Ke, A.
Deposit date:2015-02-07
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mn(2+)-Sensing Mechanisms of yybP-ykoY Orphan Riboswitches.
Mol.Cell, 57, 2015
4XUS
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BU of 4xus by Molmil
Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating A and an incoming dTTP
Descriptor: 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2015-01-26
Release date:2016-02-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda.
Nucleic Acids Res., 43, 2015
4XXD
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BU of 4xxd by Molmil
Crystal Structure of mid-region amyloid beta capture by solanezumab
Descriptor: Amyloid-beta fragment, Fab Heavy Chain, Fab Light Chain
Authors:Hermans, S.J, Crespi, G.A.N, Parker, M.W, Miles, L.A.
Deposit date:2015-01-30
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Molecular basis for mid-region amyloid-beta capture by leading Alzheimer's disease immunotherapies.
Sci Rep, 5, 2015
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
4XY6
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BU of 4xy6 by Molmil
Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
Descriptor: Hypothetical Thioesterase Protein SP_1851
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2015-02-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
To Be Published
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
Descriptor: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5XZX
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BU of 5xzx by Molmil
Crystal structure of importin-alpha3 bound to the nuclear localization signal of Ran-binding protein 3
Descriptor: Importin subunit alpha-3, Ran-binding protein 3
Authors:Koyama, M, Matsuura, Y.
Deposit date:2017-07-14
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of importin-alpha 3 bound to the nuclear localization signal of Ran-binding protein 3
Biochem. Biophys. Res. Commun., 491, 2017
5Y06
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BU of 5y06 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
Descriptor: GLYCEROL, ZINC ION, msmeg_4306
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2017-07-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YFJ
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BU of 5yfj by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-21
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018

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