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6H7F
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BU of 6h7f by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii in complex with Fe3+-Preacinetobactin-acinetobactin
Descriptor: (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, ...
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-07-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6H7A
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BU of 6h7a by Molmil
Structure of Leishmania PABP1 (domain J).
Descriptor: PABP1 domain J
Authors:Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G.
Deposit date:2018-07-31
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs.
Nucleic Acids Res., 47, 2019
6APA
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BU of 6apa by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263A
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 20, 2019
6H54
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BU of 6h54 by Molmil
CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, GLYCEROL, ...
Authors:Plank, C, Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2018-07-23
Release date:2019-08-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
6GF2
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BU of 6gf2 by Molmil
The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome
Descriptor: Ubiquitin D
Authors:Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S.
Deposit date:2018-04-29
Release date:2018-08-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
6GFT
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BU of 6gft by Molmil
Antinociceptive evaluation of cyriotoxin-1a, the first toxin purified from Cyriopagopus schioedtei spider venom
Descriptor: cyriotoxin-1a
Authors:Kurz, M.
Deposit date:2018-05-02
Release date:2019-03-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:From identification to functional characterization of cyriotoxin-1a, an antinociceptive toxin from the spider Cyriopagopus schioedtei.
Br.J.Pharmacol., 176, 2019
6H8O
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BU of 6h8o by Molmil
Crystal structure of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus
Descriptor: Replication-associated protein, SULFATE ION
Authors:Moncalian, G, Gonzalez-Montes, L.
Deposit date:2018-08-02
Release date:2018-08-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus
To Be Published
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Descriptor: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
Authors:Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
6H7V
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BU of 6h7v by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Ligand-gated channel protein
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-07-31
Release date:2018-10-10
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
6H90
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BU of 6h90 by Molmil
K145A variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by beryllium trifluoride to 1.3 A.
Descriptor: 1,2-ETHANEDIOL, BERYLLIUM TRIFLUORIDE ION, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C, Waltho, J.P.
Deposit date:2018-08-03
Release date:2020-08-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
6HB9
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BU of 6hb9 by Molmil
Crystal structure of the GABARAP in complex with the UBA5 LIR motif
Descriptor: Gamma-aminobutyric acid receptor-associated protein
Authors:Huber, J, Rogov, V, Akutsu, M.
Deposit date:2018-08-10
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An atypical LIR motif within UBA5 (ubiquitin like modifier activating enzyme 5) interacts with GABARAP proteins and mediates membrane localization of UBA5.
Autophagy, 16, 2020
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
Descriptor: BCL-xl protein, Beclin-1
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6DGK
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BU of 6dgk by Molmil
Crystal Structure of the Non-Structural Protein 1 (NS1) effector domain W187A mutant from the A/Brevig Mission/1/1918 (H1N1) strain of Influenza A Virus
Descriptor: Non-structural protein 1
Authors:Kleinpeter, A.B, Green, T.J, Petit, C.M.
Deposit date:2018-05-17
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses reveal the mechanism of inhibition of influenza virus NS1 by two antiviral compounds.
J. Biol. Chem., 293, 2018
6DAD
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BU of 6dad by Molmil
1.65 Angstrom crystal structure of the N97I Ca/CaM:CaV1.2 IQ domain complex
Descriptor: CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
Authors:Wang, K, Van Petegem, F.
Deposit date:2018-05-01
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DF9
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BU of 6df9 by Molmil
Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6DJW
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BU of 6djw by Molmil
Crystal Structure of pParkin (REP and RING2 deleted)-pUb-UbcH7 complex
Descriptor: RBR-type E3 ubiquitin transferase,RBR-type E3 ubiquitin transferase, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Sauve, V, Sung, G, Trempe, J.F, Gehring, K.
Deposit date:2018-05-26
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.801 Å)
Cite:Mechanism of parkin activation by phosphorylation.
Nat. Struct. Mol. Biol., 25, 2018
6DL0
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BU of 6dl0 by Molmil
Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
Descriptor: pohlianin C
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
6DCO
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BU of 6dco by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108D
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION
Authors:Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
Deposit date:2018-05-07
Release date:2018-05-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6DN6
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BU of 6dn6 by Molmil
SPRY domain-containing SOCS box protein 2 complexed with INNN(ABU) cyclic peptide inhibitor
Descriptor: INNN(ABU) cyclic peptide inhibitor, SPRY domain-containing SOCS box protein 2
Authors:Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S.
Deposit date:2018-06-06
Release date:2019-04-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
ACS Chem. Biol., 13, 2018
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
6DGL
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BU of 6dgl by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DKZ
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BU of 6dkz by Molmil
Racemic structure of ribifolin, an orbitide from Jatropha ribifolia
Descriptor: ribifolin
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-14
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
6DNS
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BU of 6dns by Molmil
Endo-fucoidan hydrolase MfFcnA9 from glycoside hydrolase family 107
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION
Authors:Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
Deposit date:2018-06-07
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
6DSL
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BU of 6dsl by Molmil
Consensus engineered intein (Cat) with atypical split site
Descriptor: Consensus engineered intein CatC, Consensus engineered intein CatN
Authors:Sekar, G, Stevens, A.J, Muir, T.W, Cowburn, D.
Deposit date:2018-06-14
Release date:2018-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:An Atypical Mechanism of Split Intein Molecular Recognition and Folding.
J. Am. Chem. Soc., 140, 2018
6DAH
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BU of 6dah by Molmil
2.5 Angstrom crystal structure of the N97S CaM mutant
Descriptor: CALCIUM ION, Calmodulin-1
Authors:Wang, K, Van Petegem, F.
Deposit date:2018-05-01
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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數據於2024-07-17公開中

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