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4WFL
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BU of 4wfl by Molmil
Structure of the complete bacterial SRP Alu domain
Descriptor: COBALT HEXAMMINE(III), MAGNESIUM ION, RNA
Authors:Kempf, G, Wild, K, Sinning, I.
Deposit date:2014-09-15
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of the complete bacterial SRP Alu domain.
Nucleic Acids Res., 42, 2014
4WH0
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BU of 4wh0 by Molmil
YcaC from Pseudomonas aeruginosa with S-mercaptocysteine active site cysteine
Descriptor: CHLORIDE ION, Putative hydrolase
Authors:Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E.
Deposit date:2014-09-19
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.563 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
4WVI
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BU of 4wvi by Molmil
Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep2).
Descriptor: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep2)
Authors:Young, P.G, Ting, Y.T, Baker, E.N.
Deposit date:2014-11-05
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4WUT
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BU of 4wut by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE
Descriptor: ABC transporter substrate binding protein (Ribose), CALCIUM ION, CHLORIDE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-03
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE
To be published
4X8A
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BU of 4x8a by Molmil
NavMS pore and C-terminal domain grown from protein purified in LiCl
Descriptor: HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-12-10
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
4X09
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BU of 4x09 by Molmil
Structure of human RNase 6 in complex with sulphate anions
Descriptor: GLYCEROL, Ribonuclease K6, SULFATE ION
Authors:Prats-Ejarque, G, Arranz-Trullen, J, Blanco, J.A, Pulido, D, Moussaoui, M, Boix, E.
Deposit date:2014-11-21
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:The first crystal structure of human RNase 6 reveals a novel substrate-binding and cleavage site arrangement.
Biochem.J., 473, 2016
4X91
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BU of 4x91 by Molmil
Crystal structure of Lysosomal Phospholipase A2 in complex with Isopropyl dodec-11-enylfluorophosphonate (IDFP)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X1J
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BU of 4x1j by Molmil
X-ray crystal structure of the dimeric BMP antagonist NBL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroblastoma suppressor of tumorigenicity 1
Authors:Thompson, T.B, Nolan, K, Kattamuri, C.
Deposit date:2014-11-24
Release date:2015-01-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Neuroblastoma Suppressor of Tumorigenicity 1 (NBL1): INSIGHTS FOR THE FUNCTIONAL VARIABILITY ACROSS BONE MORPHOGENETIC PROTEIN (BMP) ANTAGONISTS.
J.Biol.Chem., 290, 2015
4WF1
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BU of 4wf1 by Molmil
Crystal structure of the E. coli ribosome bound to negamycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C.
Deposit date:2014-09-11
Release date:2014-11-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
4X4G
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BU of 4x4g by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 26.8 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
4WSK
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BU of 4wsk by Molmil
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
Descriptor: Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
Authors:Davies, G.J.
Deposit date:2014-10-28
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
4WSP
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BU of 4wsp by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-I)
Descriptor: CHLORIDE ION, protein DL-Rv1738
Authors:Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
Deposit date:2014-10-28
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WSQ
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BU of 4wsq by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, AP2-associated protein kinase 1, K-252A, ...
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Abdul, K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4WLI
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BU of 4wli by Molmil
Stationary Phase Survival Protein YuiC from B.subtilis
Descriptor: 1,2-ETHANEDIOL, YuiC
Authors:Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
Deposit date:2014-10-07
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
4WLQ
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BU of 4wlq by Molmil
Crystal structure of mUCH37-hRPN13 CTD complex
Descriptor: Proteasomal ubiquitin receptor ADRM1, Ubiquitin carboxyl-terminal hydrolase isozyme L5
Authors:Hemmis, C.W, Hill, C.P, VanderLinden, R, Whitby, F.G.
Deposit date:2014-10-07
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase.
Mol.Cell, 57, 2015
4WT7
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BU of 4wt7 by Molmil
Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol
Descriptor: ABC transporter substrate binding protein (Ribose), CHLORIDE ION, D-allitol
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-10-29
Release date:2014-11-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol
To be published
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
Descriptor: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
6VNZ
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BU of 6vnz by Molmil
NMR solution structure of tamapin, mutant K20A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Mayorga Flores, M.
Deposit date:2020-01-29
Release date:2020-07-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells.
Acs Med.Chem.Lett., 11, 2020
4X1H
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BU of 4x1h by Molmil
Opsin/G(alpha) peptide complex stabilized by nonyl-glucoside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal derived peptide of guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ...
Authors:Blankenship, E, Lodowski, D.T.
Deposit date:2014-11-24
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The High-Resolution Structure of Activated Opsin Reveals a Conserved Solvent Network in the Transmembrane Region Essential for Activation.
Structure, 23, 2015
4X2U
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BU of 4x2u by Molmil
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
Descriptor: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
4X6F
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BU of 4x6f by Molmil
CD1a binary complex with sphingomyelin
Descriptor: (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-02-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4X7G
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BU of 4x7g by Molmil
CobK precorrin-6A reductase
Descriptor: 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase
Authors:Gu, S, Deery, E, Warren, M.J, Pickersgill, R.W.
Deposit date:2014-12-09
Release date:2016-01-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of CobK reveals strand-swapping between Rossmann-fold domains and molecular basis of the reduced precorrin product trap.
Sci Rep, 5, 2015
4X93
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BU of 4x93 by Molmil
Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (tetragonal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4WMZ
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BU of 4wmz by Molmil
S. cerevisiae CYP51 complexed with fluconazole in the active site
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A.
Deposit date:2014-10-09
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 59, 2015
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:2024-10-16
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

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數據於2024-10-16公開中

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