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6C63
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Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO1-Biotin
分子名称: 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (32-MER), ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2018-01-17
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.900028 Å)
主引用文献Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness.
Biochemistry, 57, 2018
4Z25
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Mimivirus R135 (residues 51-702)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase R135
著者Klose, T, Rossmann, M.G.
登録日2015-03-28
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.339 Å)
主引用文献A Mimivirus Enzyme that Participates in Viral Entry.
Structure, 23, 2015
2PVK
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BU of 2pvk by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
2PVY
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BU of 2pvy by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic K659N Mutation Responsible for an Unclassified Craniosynostosis Syndrome.
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Chen, H, Mohammadi, M.
登録日2007-05-10
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A molecular brake in the kinase hinge region regulates the activity of receptor tyrosine kinases.
Mol.Cell, 27, 2007
6BY7
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BU of 6by7 by Molmil
Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins
分子名称: DNA (26-MER), DNA (27-MER), DNA (29-MER), ...
著者Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y.
登録日2017-12-20
公開日2018-02-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins.
Angew. Chem. Int. Ed. Engl., 57, 2018
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
5TQJ
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BU of 5tqj by Molmil
Crystal structure of response regulator receiver protein from Burkholderia phymatum
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Response regulator receiver protein
著者Edwards, T.E, Dranow, D.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-10-24
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of response regulator receiver protein from Burkholderia phymatum
To Be Published
2PZR
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BU of 2pzr by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic K641R Mutation Responsible for Pfeiffer Syndrome
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Chen, H, Mohammadi, M.
登録日2007-05-18
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A molecular brake in the kinase hinge region regulates the activity of receptor tyrosine kinases.
Mol.Cell, 27, 2007
5TR4
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BU of 5tr4 by Molmil
Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243
分子名称: Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
著者Sintchak, M.D.
登録日2016-10-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
4YZ7
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Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 9-HYDROXY ARISTOLOCHIC ACID, Basic phospholipase A2 homolog piratoxin-1, ...
著者Fernandes, C.A.H, Fontes, M.R.M.
登録日2015-03-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9589 Å)
主引用文献Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
5UDW
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BU of 5udw by Molmil
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel
分子名称: Lactate racemization operon protein LarE, NICKEL (II) ION, PHOSPHATE ION, ...
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6BTC
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BU of 6btc by Molmil
SCCmec type IV LP1413 - nucleic acids binding protein
分子名称: LP1413 - SCCmec type IV-encoded DNA binding protein
著者Rice, P.A, Mir-Sanchis, I.
登録日2017-12-06
公開日2018-07-25
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.1774075 Å)
主引用文献Crystal Structure of an Unusual Single-Stranded DNA-Binding Protein Encoded by Staphylococcal Cassette Chromosome Elements.
Structure, 26, 2018
5UEI
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BU of 5uei by Molmil
Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 (Apo)
分子名称: CHLORIDE ION, GLYCEROL, O13
著者Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Herrin, B.R, Cooper, M.D, Wilson, I.A.
登録日2017-01-02
公開日2017-10-18
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
4YZR
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BU of 4yzr by Molmil
Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS
分子名称: HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE, Polyketide biosynthesis cytochrome P450 PksS
著者Race, P.R, Zulkepli, A.Z, Anderson, R.J.L.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS
To Be Published
4Z0L
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BU of 4z0l by Molmil
The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative
分子名称: (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J.
登録日2015-03-26
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
6C5A
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BU of 6c5a by Molmil
Human UDP-Glucose Dehydrogenase with UDP- Glc and NADH bound
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, UDP-glucose 6-dehydrogenase, ...
著者Gross, P.G, Fallah, J, Wood, Z.A.
登録日2018-01-15
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The A225L Substitution of hUGDH alters structure and function
To Be Published
6C6D
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BU of 6c6d by Molmil
20mer crystal structure of CC chemokine 5 (CCL5)
分子名称: C-C motif chemokine 5
著者Liang, W.G, Tang, W.J.
登録日2018-01-18
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献20mer crystal structure of CC chemokine 5 (CCL5)
To Be Published
6BVR
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BU of 6bvr by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者Yang, Y, Liu, F, Liu, A.
登録日2017-12-13
公開日2018-06-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
4Z42
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Crystal structure of urease from Yersinia enterocolitica
分子名称: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
著者Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T.
登録日2015-04-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal structure of urease from Yersinia enterocolitica
To Be Published
2Q1W
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BU of 2q1w by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase
著者King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L.
登録日2007-05-25
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
5TVC
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BU of 5tvc by Molmil
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)
分子名称: (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine, PENTAETHYLENE GLYCOL, SULFATE ION, ...
著者Bobango, J, Wu, J, Talley, I.T, Talley, T.T.
登録日2016-11-08
公開日2016-11-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)
To Be Published
4ZCV
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BU of 4zcv by Molmil
Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P212121 form
分子名称: CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ...
著者Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S.
登録日2015-04-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015
4Z6W
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Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.57 Ang resolution
分子名称: 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
6BL3
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BU of 6bl3 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate
分子名称: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
登録日2017-11-09
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
2Q47
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Ensemble refinement of the protein crystal structure of a putative phosphoprotein phosphatase from Arabidopsis thaliana gene At1g05000
分子名称: Probable tyrosine-protein phosphatase At1g05000, SULFATE ION
著者Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-31
公開日2007-06-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007

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