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7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7YY4
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BU of 7yy4 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8
Descriptor: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYA
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BU of 7yya by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 14
Descriptor: 3-indol-1-ylpropanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7Z62
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BU of 7z62 by Molmil
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
Descriptor: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Varrot, A.
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.
Eur.J.Med.Chem., 247, 2022
7Z63
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BU of 7z63 by Molmil
Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PA-I galactophilic lectin, ...
Authors:Varrot, A.
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.
Eur.J.Med.Chem., 247, 2022
2HR7
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BU of 2hr7 by Molmil
Insulin receptor (domains 1-3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Garrett, T.P.J, Ward, C.W.
Deposit date:2006-07-19
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The first three domains of the insulin receptor differ structurally from the insulin-like growth factor 1 receptor in the regions governing ligand specificity.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: DRP8II
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-22
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: drp8I
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-23
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
6MV6
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BU of 6mv6 by Molmil
Crystal structure of RNAse 6
Descriptor: PHOSPHATE ION, Ribonuclease K6
Authors:Couture, J.-F, Doucet, N.
Deposit date:2018-10-24
Release date:2019-11-13
Last modified:2020-05-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding.
Biochemistry, 59, 2020
7E6J
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BU of 7e6j by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, PROPANOIC ACID, ...
Authors:Nakashima, Y, Brasnett, A, Brewitz, L, Schofield, C.J.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Oxygenase Variants Employing a Single Protein Fe II Ligand Are Catalytically Active.
Angew.Chem.Int.Ed.Engl., 60, 2021
1SR7
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BU of 1sr7 by Molmil
Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate
Descriptor: GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ...
Authors:Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P.
Deposit date:2004-03-22
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
6MW8
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BU of 6mw8 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kim, H.W, Wood, Z.A, West, C.M.
Deposit date:2018-10-29
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
1H2R
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BU of 1h2r by Molmil
THREE-DIMENSIONAL STRUCTURE OF NI-FE HYDROGENASE FROM DESULFIVIBRIO VULGARIS MIYAZAKI F IN THE REDUCED FORM AT 1.4 A RESOLUTION
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Higuchi, Y, Ogata, H.
Deposit date:1999-06-14
Release date:2000-01-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Removal of the bridging ligand atom at the Ni-Fe active site of [NiFe] hydrogenase upon reduction with H2, as revealed by X-ray structure analysis at 1.4 A resolution.
Structure Fold.Des., 7, 1999
6MV7
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BU of 6mv7 by Molmil
Crystal structure of RNAse 6
Descriptor: ADENOSINE MONOPHOSPHATE, Ribonuclease K6
Authors:Couture, J.-F, Doucet, N.
Deposit date:2018-10-24
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding.
Biochemistry, 59, 2020
4KYO
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BU of 4kyo by Molmil
Alanine-glyoxylate aminotransferase variant K390A in complex with the TPR domain of human Pex5p
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, ...
Authors:Fodor, K, Lou, Y, Wilmanns, M.
Deposit date:2013-05-29
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes.
Traffic, 16, 2015
4O6Q
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BU of 4o6q by Molmil
0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant)
Descriptor: FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
3IFB
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BU of 3ifb by Molmil
NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:1998-10-16
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
5FJV
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BU of 5fjv by Molmil
Crystal structure of the extracellular domain of alpha2 nicotinic acetylcholine receptor in pentameric assembly
Descriptor: EPIBATIDINE, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-2
Authors:Giastas, P, Kouvatsos, N, Chroni-Tzartou, D, Tzartos, S.J.
Deposit date:2015-10-13
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of a Human Neuronal Nachr Extracellular Domain in Pentameric Assembly: Ligand-Bound Alpah2 Homopentamer.
Proc.Natl.Acad.Sci.USA, 113, 2016
1GWF
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BU of 1gwf by Molmil
Compound II structure of Micrococcus Lysodeikticus catalase
Descriptor: ACETATE ION, Catalase, OXYGEN ATOM, ...
Authors:Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R.
Deposit date:2002-03-15
Release date:2002-04-26
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
2JN3
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BU of 2jn3 by Molmil
NMR structure of cl-BABP complexed to chenodeoxycholic acid
Descriptor: CHENODEOXYCHOLIC ACID, Fatty acid-binding protein, liver
Authors:Eliseo, T, Ragona, L, Catalano, M, Assfalf, M, Paci, M, Zetta, L, Molinari, H, Cicero, D.O.
Deposit date:2006-12-22
Release date:2007-07-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Structural and dynamic determinants of ligand binding in the ternary complex of chicken liver bile acid binding protein with two bile salts revealed by NMR
Biochemistry, 46, 2007
5DDB
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BU of 5ddb by Molmil
Menin in complex with MI-319
Descriptor: 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
6FSH
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BU of 6fsh by Molmil
Crystal structure of hybrid P450 OxyBtei(BC/FGvan)
Descriptor: ACETATE ION, OxyB protein, POTASSIUM ION, ...
Authors:Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J.
Deposit date:2018-02-19
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach.
J. Inorg. Biochem., 185, 2018
1O9I
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BU of 1o9i by Molmil
Crystal structure of the Y42F mutant of manganese catalase from Lactobacillus plantarum at 1.33A resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, MANGANESE (III) ION, ...
Authors:Barynin, V.V, Whittaker, M.M, Whittaker, J.W.
Deposit date:2002-12-13
Release date:2003-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Outer Sphere Mutagenesis of Lactobacillus Plantarum Manganese Catalase Disrupts the Cluster Core. Mechanistic Implications.
Eur.J.Biochem., 270, 2003

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數據於2024-07-31公開中

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