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5VC0
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Crystal structure of human CYP3A4 bound to ritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Sevrioukova, I.
登録日2017-03-30
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCE
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BU of 5vce by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VEU
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Human Cytochrome P450 3A5 (CYP3A5)
分子名称: Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Hsu, M.-H, Johnson, E.F.
登録日2017-04-05
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
2YDS
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CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ...
著者Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F.
登録日2011-03-24
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
6TQM
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BU of 6tqm by Molmil
Escherichia coli AdhE structure in its compact conformation
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde-alcohol dehydrogenase, FE (III) ION
著者Fronzes, R, Pony, P.
登録日2019-12-16
公開日2020-06-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation.
Nat Commun, 11, 2020
5KRC
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BU of 5krc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone
分子名称: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-02-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6TTB
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BU of 6ttb by Molmil
Crystal structure of NAD-dependent formate dehydrogenase from Staphylococcus aureus in complex with NAD
分子名称: Formate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Boyko, K.M, Pometun, A.A, Nikolaeva, A.Y, Kargov, I.S, Yurchenko, T.S, Savin, S.S, Popov, V.O, Tishkov, V.I.
登録日2019-12-26
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of NAD-dependent formate dehydrogenase from Staphylococcus aureus in complex with NAD
To Be Published
3LVL
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BU of 3lvl by Molmil
Crystal Structure of E.coli IscS-IscU complex
分子名称: Cysteine desulfurase, NifU-like protein, PYRIDOXAL-5'-PHOSPHATE
著者Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2010-02-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
1DFU
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BU of 1dfu by Molmil
CRYSTAL STRUCTURE OF E.COLI RIBOSOMAL PROTEIN L25 COMPLEXED WITH A 5S RRNA FRAGMENT AT 1.8 A RESOLUTION
分子名称: 5S RRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN L25
著者Lu, M, Steitz, T.A.
登録日1999-11-21
公開日1999-12-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Escherichia coli ribosomal protein L25 complexed with a 5S rRNA fragment at 1.8-A resolution.
Proc.Natl.Acad.Sci.USA, 97, 2000
5KLP
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BU of 5klp by Molmil
Crystal structure of HopZ1a in complex with IP6
分子名称: CITRIC ACID, INOSITOL HEXAKISPHOSPHATE, Orf34
著者Zhang, Z.-M, Song, J.
登録日2016-06-24
公開日2016-08-10
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure of a pathogen effector reveals the enzymatic mechanism of a novel acetyltransferase family.
Nat.Struct.Mol.Biol., 23, 2016
2YSD
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BU of 2ysd by Molmil
Solution structure of the first WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
著者Ohnishi, S, Tochio, N, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-03
公開日2007-10-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the first WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
To be Published
5KNL
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BU of 5knl by Molmil
Crystal structure of S. pombe ubiquitin E1 (Uba1) in complex with Ubc15 and ubiquitin
分子名称: SULFATE ION, Ubiquitin, Ubiquitin-activating enzyme E1 1, ...
著者Olsen, S.K, Lv, Z, Yuan, L, Williams, K.
登録日2016-06-28
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献S. pombe Uba1-Ubc15 Structure Reveals a Novel Regulatory Mechanism of Ubiquitin E2 Activity.
Mol. Cell, 65, 2017
3LHJ
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BU of 3lhj by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor.
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
著者Mohr, C, Jordan, S.
登録日2010-01-22
公開日2010-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
3L8X
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BU of 3l8x by Molmil
P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor
分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Sack, J.S.
登録日2010-01-04
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2YKF
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BU of 2ykf by Molmil
Sensor region of a sensor histidine kinase
分子名称: BROMIDE ION, PROBABLE SENSOR HISTIDINE KINASE PDTAS, SULFATE ION
著者Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A.
登録日2011-05-26
公開日2012-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
1DK0
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BU of 1dk0 by Molmil
CRYSTAL STRUCTURE OF THE HEMOPHORE HASA FROM SERRATIA MARCESCENS CRYSTAL FORM P2(1), PH8
分子名称: HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE
著者Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M.
登録日1999-12-06
公開日2000-12-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
2YSF
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BU of 2ysf by Molmil
Solution structure of the fourth WW domain from the human E3 ubiquitin-protein ligase Itchy homolog, ITCH
分子名称: E3 ubiquitin-protein ligase Itchy homolog
著者Ohnishi, S, Li, H, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-03
公開日2007-10-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the fourth WW domain from the human E3 ubiquitin-protein ligase Itchy homolog, ITCH
To be Published
3PN2
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BU of 3pn2 by Molmil
Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) (crystallized in PEG-550-MME)
分子名称: Peptide deformylase 1B, chloroplastic, ZINC ION
著者Fieulaine, S, Meinnel, T, Giglione, C.
登録日2010-11-18
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
3LC8
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BU of 3lc8 by Molmil
Crystal structure of the cytoplasmic tail of (pro)renin receptor as a MBP fusion (Maltose-free form)
分子名称: GLYCEROL, MAGNESIUM ION, Maltose-binding periplasmic protein, ...
著者Zhang, Y, Garavito, R.M.
登録日2010-01-10
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of the intracellular domain of (pro)renin receptor fused to maltose-binding protein.
Biochem.Biophys.Res.Commun., 407, 2011
4G29
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BU of 4g29 by Molmil
Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI
分子名称: Secreted effector protein sseI
著者Stebbins, C.E, Bhaskaran, S.S.
登録日2012-07-11
公開日2012-11-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the catalytic domain of the Salmonella virulence factor SseI.
Acta Crystallogr.,Sect.D, 68, 2012
2YDL
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BU of 2ydl by Molmil
Crystal structure of SH3C from CIN85
分子名称: SH3 DOMAIN-CONTAINING KINASE-BINDING PROTEIN 1
著者Bravo, J, Cardenes, N.
登録日2011-03-22
公開日2012-03-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
2Z17
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BU of 2z17 by Molmil
Crystal structure of PDZ domain from human Pleckstrin homology, Sec7
分子名称: Pleckstrin homology Sec7 and coiled-coil domains-binding protein
著者Kishishita, S, Nishino, A, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-08
公開日2008-05-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of PDZ domain from human Pleckstrin homology, Sec7
To be Published
3L9H
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BU of 3l9h by Molmil
X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085
分子名称: 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11
著者Knoechel, T.
登録日2010-01-05
公開日2010-03-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.
Bioorg.Med.Chem.Lett., 20, 2010
5KRO
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BU of 5kro by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
分子名称: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
1HV5
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CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC INHIBITOR
分子名称: 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ...
著者Gall, A.L, Ruff, M, Kannan, R, Cuniasse, P, Yiotakis, A, Dive, V, Rio, M.C, Basset, P, Moras, D.
登録日2001-01-08
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the stromelysin-3 (MMP-11) catalytic domain complexed with a phosphinic inhibitor mimicking the transition-state.
J.Mol.Biol., 307, 2001

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