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5ABD
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BU of 5abd by Molmil
CRYSTAL STRUCTURE OF VEGFR-1 DOMAIN 2 IN PRESENCE OF CU
分子名称: COPPER (II) ION, SODIUM ION, SULFATE ION, ...
著者Gaucher, J.-F, Lascombe, M.-B, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I.
登録日2015-08-05
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A
Plos One, 11, 2016
4PTX
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BU of 4ptx by Molmil
Halothermothrix orenii beta-glucosidase A, glucose complex
分子名称: CACODYLATE ION, Glycoside hydrolase family 1, beta-D-glucopyranose
著者Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C.
登録日2014-03-11
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
6I9F
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BU of 6i9f by Molmil
Solution structure of As-p18 reveals that nematode fatty acid binding proteins exhibit unusual structural features
分子名称: Fatty acid-binding protein homolog, OLEIC ACID
著者Ibanez Shimabukuro, M, Rey Burusco, M.F, Kennedy, M.W, Corsico, B, Smith, B.O.
登録日2018-11-23
公開日2019-07-17
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献As-p18, an extracellular fatty acid binding protein of nematodes, exhibits unusual structural features.
Biosci.Rep., 2019
6AMH
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BU of 6amh by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R.
登録日2017-08-09
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
8CHO
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BU of 8cho by Molmil
CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI
分子名称: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, STEROID DELTA-ISOMERASE
著者Cho, H.-S, Oh, B.-H.
登録日1998-01-06
公開日1999-02-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni.
Biochemistry, 37, 1998
4PJ6
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BU of 4pj6 by Molmil
Crystal Structure of Human Insulin Regulated Aminopeptidase with Lysine in Active Site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSINE, ...
著者Hermans, S.J, Ascher, D.B, Hancock, N.C, Holien, J.K, Michell, B, Morton, C.J, Parker, M.W.
登録日2014-05-12
公開日2014-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.
Protein Sci., 24, 2015
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
4PL3
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BU of 4pl3 by Molmil
Crystal structure of murine IRE1 in complex with MKC9989 inhibitor
分子名称: 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
登録日2014-05-16
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
6E68
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NAMPT co-crystal with inhibitor compound 2
分子名称: (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Waight, A.B, Neumann, C.S.
登録日2018-07-24
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献NAMPT co-crystal with inhibitor compound 2
to be published
7K44
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BU of 7k44 by Molmil
SGBP-B from a complex xyloglucan utilization locus in Bacteroides uniformis
分子名称: CALCIUM ION, SGBP-B
著者Brumer, H, Van Petegem, F, Grondin, J.M.
登録日2020-09-14
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cell Surface Xyloglucan Recognition and Hydrolysis by the Human Gut Commensal Bacteroides uniformis.
Appl.Environ.Microbiol., 88, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-04-26
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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BU of 7zst by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-05-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
4POS
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BU of 4pos by Molmil
Structure of Human Polyomavirus 9 VP1 pentamer in complex with 3'-sialyllactosamine
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Khan, Z.M, Stehle, T.
登録日2014-02-26
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014
5AD8
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BU of 5ad8 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5AD9
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6J05
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BU of 6j05 by Molmil
Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression
分子名称: ARSENIC, SODIUM ION, Transcriptional regulator ArsR
著者Prabaharan, C, Kandavelu, P, Packianathan, C, Rosen, P.B, Thiyagarajan, S.
登録日2018-12-21
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression.
J.Struct.Biol., 207, 2019
5AD6
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BU of 5ad6 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
2HGH
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BU of 2hgh by Molmil
Transcription Factor IIIA zinc fingers 4-6 bound to 5S rRNA 55mer (NMR structure)
分子名称: 55-MER, Transcription factor IIIA, ZINC ION
著者Lee, B.M.
登録日2006-06-27
公開日2006-08-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Induced Fit and 'Lock and Key' Recognition of 5 S RNA by Zinc Fingers of Transcription Factor IIIA
J.Mol.Biol., 357, 2006
5AD4
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BU of 5ad4 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7ELG
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BU of 7elg by Molmil
LC3B modificated with a covalent probe
分子名称: 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Fan, S, Wan, W.
登録日2021-04-10
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
分子名称: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
著者Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
登録日2022-05-16
公開日2022-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
5DWJ
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BU of 5dwj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
分子名称: 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DXP
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
分子名称: 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016

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