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5YBG
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BU of 5ybg by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and LY451395
Descriptor: ACETATE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2017-09-04
Release date:2018-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Descriptor: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
5YDG
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BU of 5ydg by Molmil
Crystal structure of the Arabidopsis thaliana chloroplast RNA editing factors 2(MORF2)
Descriptor: Multiple organellar RNA editing factor 2, chloroplastic
Authors:Wang, X, Yang, J.Y, Wang, Y.L, Gao, Y.S.
Deposit date:2017-09-13
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Crystal structure of the chloroplast RNA editing factor MORF2
Biochem. Biophys. Res. Commun., 495, 2018
4U6X
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BU of 4u6x by Molmil
Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide
Descriptor: ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-30
Release date:2014-12-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4U73
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BU of 4u73 by Molmil
HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-30
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
5YDM
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BU of 5ydm by Molmil
The crystal structure of the Acyl Transferase domain of SpnD complex with benzylmalonyl
Descriptor: (2R)-2-methanoyl-3-phenyl-propanoic acid, PKS
Authors:Li, Y, Qu, X.D, Zhou, J.H.
Deposit date:2017-09-13
Release date:2018-05-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of a Broadly Selective Acyltransferase from the Polyketide Synthase of Splenocin.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YDV
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BU of 5ydv by Molmil
Regulatory domain of HypT from Salmonella typhimurium complexed with HOCl (HOCl-bound form)
Descriptor: Cell density-dependent motility repressor, SULFATE ION, hypochlorous acid
Authors:Jo, I, Hong, S, Ahn, J, Ha, N.C.
Deposit date:2017-09-14
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4U79
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BU of 4u79 by Molmil
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
Descriptor: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
Authors:Mohr, C.
Deposit date:2014-07-30
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
5YCB
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BU of 5ycb by Molmil
Crystal structure of notothenia coriiceps adenylate kinase variant
Descriptor: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, adenylate kinase
Authors:Bae, E, Kim, J, Moon, S.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.272 Å)
Cite:Crystal structure of notothenia coriiceps adenylate kinase variant
To Be Published
4U7I
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BU of 4u7i by Molmil
Structure of the complex of Spartin MIT and IST1 MIM
Descriptor: IST1 homolog, Spartin
Authors:Guo, E.Z, Xu, Z.
Deposit date:2014-07-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains.
J.Biol.Chem., 290, 2015
5YCP
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BU of 5ycp by Molmil
Human PPARgamma ligand binding domain complexed with Rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor coactivator 1, ...
Authors:Jang, J.Y, Han, B.W.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPAR gamma.
Sci Rep, 8, 2018
4U7K
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BU of 4u7k by Molmil
Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a in the presence of calcium at 1.9 Angstrom resolution
Descriptor: CALCIUM ION, ColH protein
Authors:Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
Deposit date:2014-07-31
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
5YD0
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BU of 5yd0 by Molmil
Crystal structure of Schlafen 13 (SLFN13) N'-domain
Descriptor: Schlafen 8, ZINC ION
Authors:Yang, J.-Y, Gao, S.
Deposit date:2017-09-09
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.182 Å)
Cite:Structure of Schlafen13 reveals a new class of tRNA/rRNA- targeting RNase engaged in translational control
Nat Commun, 9, 2018
4U84
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BU of 4u84 by Molmil
Human Pin1 with S-hydroxyl-cysteine 113
Descriptor: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Li, W, Zhang, Y.
Deposit date:2014-08-01
Release date:2015-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
5YE9
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BU of 5ye9 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
4U89
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BU of 4u89 by Molmil
4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
Descriptor: COENZYME A, IMIDAZOLE, PHOSPHATE ION, ...
Authors:Faille, A, Mourey, L, Pedelacq, J.D.
Deposit date:2014-08-01
Release date:2015-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of the 4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
to be published
5YEQ
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BU of 5yeq by Molmil
The structure of Sac-KARI protein
Descriptor: 1,2-ETHANEDIOL, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
Authors:Ko, T.P, Chen, C.Y, Lin, K.F, Lin, B.L, Huang, C.H, Chiang, C.H, Horng, J.C, Tsai, M.D.
Deposit date:2017-09-19
Release date:2018-07-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:NADH/NADPH bi-cofactor-utilizing and thermoactive ketol-acid reductoisomerase from Sulfolobus acidocaldarius
Sci Rep, 8, 2018
4U8J
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BU of 4u8j by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R, Tanner, J.J.
Deposit date:2014-08-03
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U91
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BU of 4u91 by Molmil
GephE in complex with Para-Phenyl crosslinked Glycine receptor beta subunit derived dimeric peptide
Descriptor: 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5YEZ
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BU of 5yez by Molmil
Regulatory domain of HypT M206Q mutant from Salmonella typhimurium
Descriptor: Cell density-dependent motility repressor
Authors:Jo, I, Hong, S, Ahn, J, Ha, N.C.
Deposit date:2017-09-20
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4U9B
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BU of 4u9b by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)NO ligation state
Descriptor: GLYCEROL, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
5YDU
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BU of 5ydu by Molmil
Crystal structure of Utp30
Descriptor: PHOSPHATE ION, Ribosome biogenesis protein UTP30
Authors:Hu, J, Zhu, X, Ye, K.
Deposit date:2017-09-14
Release date:2017-11-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Structure and RNA recognition of ribosome assembly factor Utp30.
RNA, 23, 2017
5YE7
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BU of 5ye7 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
4U9H
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BU of 4u9h by Molmil
Ultra High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ...
Authors:Ogata, H, Nishikawa, K, Lubitz, W.
Deposit date:2014-08-06
Release date:2015-01-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase.
Nature, 520, 2015
5YEJ
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BU of 5yej by Molmil
Crystal structure of BioQ with its naturel double-stranded DNA operator
Descriptor: DNA (5'-D(*AP*CP*CP*TP*GP*AP*AP*CP*AP*CP*CP*GP*TP*TP*CP*AP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*TP*GP*AP*AP*CP*GP*GP*TP*GP*TP*TP*CP*AP*GP*GP*T)-3'), TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018

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