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8E4M
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BU of 8e4m by Molmil
The intermediate C2-state mouse TRPM8 structure in complex with the cooling agonist C3 and PI(4,5)P2
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
3TJB
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BU of 3tjb by Molmil
Crystal structure of wild-type human peroxiredoxin IV
分子名称: Peroxiredoxin-4
著者Cao, Z, Tavender, T.J, Roszak, A.W, Cogdell, R.J, Bulleid, N.J.
登録日2011-08-24
公開日2011-10-12
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of Reduced and of Oxidized Peroxiredoxin IV Enzyme Reveals a Stable Oxidized Decamer and a Non-disulfide-bonded Intermediate in the Catalytic Cycle.
J.Biol.Chem., 286, 2011
8E4P
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BU of 8e4p by Molmil
Mouse TRPM8 structure determined in the ligand- and PI(4,5)P2-free condition, Class I , C0 state
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
6I2F
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BU of 6i2f by Molmil
Human Carbonic Anhydrase II in complex with 4-Propoxybenzenesulfonamide
分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-11-01
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
2BMX
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BU of 2bmx by Molmil
Mycobacterium tuberculosis AhpC
分子名称: ALKYL HYDROPEROXIDASE C
著者Guimaraes, B.G, Alzari, P.M.
登録日2005-03-16
公開日2005-05-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and Mechanism of the Alkyl Hydroperoxidase Ahpc, a Key Element of the Mycobacterium Tuberculosis Defense System Against Oxidative Stress.
J.Biol.Chem., 280, 2005
6SYW
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BU of 6syw by Molmil
human Aldose Reductase in complex with SAR25
分子名称: 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2019-10-01
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献human Aldose Reductase in complex with SAR25
To Be Published
7JO1
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BU of 7jo1 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JOB
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BU of 7job by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-06
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
1AZ2
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BU of 1az2 by Molmil
CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
分子名称: ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H, Bohren, K.M, Ringe, D, Petsko, G.A, Gabbay, K.H.
登録日1997-11-24
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The alrestatin double-decker: binding of two inhibitor molecules to human aldose reductase reveals a new specificity determinant.
Biochemistry, 36, 1997
6VZ1
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BU of 6vz1 by Molmil
Cryo-EM structure of human diacylglycerol O-acyltransferase 1 complexed with acyl-CoA substrate
分子名称: Diacylglycerol O-acyltransferase 1, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Sui, X, Wang, K, Gluchowski, N, Liao, M, Walther, C.T, Farese Jr, V.R.
登録日2020-02-27
公開日2020-05-13
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure and catalytic mechanism of a human triacylglycerol-synthesis enzyme.
Nature, 581, 2020
1SOA
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BU of 1soa by Molmil
Human DJ-1 with sulfinic acid
分子名称: RNA-binding protein regulatory subunit; oncogene DJ1
著者Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R.
登録日2004-03-13
公開日2004-06-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization.
Proc.Natl.Acad.Sci.USA, 101, 2004
6I1U
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BU of 6i1u by Molmil
Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide
分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-10-30
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
6I3E
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BU of 6i3e by Molmil
Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide
分子名称: 4-butoxybenzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2018-11-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
7JMJ
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BU of 7jmj by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 37 - State 5 (S5)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
著者Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
登録日2020-07-31
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
3KNE
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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ...
著者Schulze-Wischeler, J, Heine, A, Klebe, G.
登録日2009-11-12
公開日2011-05-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3R17
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BU of 3r17 by Molmil
hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R.
登録日2011-03-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
1ITF
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BU of 1itf by Molmil
INTERFERON ALPHA-2A, NMR, 24 STRUCTURES
分子名称: INTERFERON ALPHA-2A
著者Klaus, W, Gsell, B, Labhardt, A.M, Wipf, B, Senn, H.
登録日1997-08-22
公開日1997-12-03
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献The three-dimensional high resolution structure of human interferon alpha-2a determined by heteronuclear NMR spectroscopy in solution.
J.Mol.Biol., 274, 1997
1SQ3
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BU of 1sq3 by Molmil
Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus.
分子名称: FE (III) ION, ferritin
著者Johnson, E, Cascio, D, Michael, S, Schroder, I.
登録日2004-03-17
公開日2005-04-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
6SG0
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BU of 6sg0 by Molmil
Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
To Be Published
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
著者Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K.
登録日2015-06-15
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
1SQW
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BU of 1sqw by Molmil
Crystal structure of KD93, a novel protein expressed in the human pro
分子名称: Saccharomyces cerevisiae Nip7p homolog
著者Liu, J.F, Wang, X.Q, Wang, Z.X, Chen, J.R, Jiang, T, An, X.M, Chan, W.R, Liang, D.C.
登録日2004-03-19
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of KD93, a novel protein expressed in human hematopoietic stem/progenitor cells.
J.Struct.Biol., 148, 2004
2F61
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BU of 2f61 by Molmil
Crystal structure of partially deglycosylated acid beta-glucosidase
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, Acid beta-glucosidase, ...
著者Hegde, R.S, Grabowski, G.
登録日2005-11-28
公開日2005-12-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analyses of Variant Acid beta-Glucosidases: EFFECTS OF GAUCHER DISEASE MUTATIONS.
J.Biol.Chem., 281, 2006
3KKX
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BU of 3kkx by Molmil
Neutron structure of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, Langan, P.A.
登録日2009-11-06
公開日2010-01-12
最終更新日2023-09-06
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Neutron structure of human carbonic anhydrase II: implications for proton transfer.
Biochemistry, 49, 2010
7ICN
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BU of 7icn by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF NICL2
分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-04-19
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996

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