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3P5L
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BU of 3p5l by Molmil
Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate
分子名称: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
2H76
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BU of 2h76 by Molmil
Crystal Structure of Thioredoxin Mutant D10E in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Thioredoxin Mutant D10E in Hexagonal (p61) Space Group
To be Published
5GU3
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BU of 5gu3 by Molmil
Crystal structure of Au(E).CL-apo-E45C/R52C-rHLFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
著者Maity, B, Abe, S, Ueno, T.
登録日2016-08-24
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
6UOK
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BU of 6uok by Molmil
Y271G DNA polymerase beta substrate complex with templating cytosine and incoming r8-oxo-GTP
分子名称: 1,2-ETHANEDIOL, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Smith, M.R, Freudenthal, B.D.
登録日2019-10-15
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
6RLD
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BU of 6rld by Molmil
STRUCTURE OF THE MECHANOSENSITIVE CHANNEL MSCS EMBEDDED IN THE MEMBRANE BILAYER
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Small-conductance mechanosensitive channel
著者Rasmussen, T, Flegler, V.J, Rasmussen, A, Boettcher, B.
登録日2019-05-02
公開日2019-07-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the Mechanosensitive Channel MscS Embedded in the Membrane Bilayer.
J.Mol.Biol., 431, 2019
5GUY
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BU of 5guy by Molmil
Structural and functional study of chuY from E. coli CFT073 strain
分子名称: Uncharacterized protein chuY
著者Kim, H, Choi, J, HA, S.C, Chaurasia, A.K, Kim, D, Kim, K.K.
登録日2016-08-31
公開日2017-03-08
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural and functional study of ChuY from Escherichia coli strain CFT073
Biochem. Biophys. Res. Commun., 482, 2017
3DD0
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BU of 3dd0 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
2H75
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BU of 2h75 by Molmil
Crystal Structure of Thioredoxin Mutant D13E in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Thioredoxin Mutant D13E in Hexagonal (p61) Space Group
To be Published
3DD8
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BU of 3dd8 by Molmil
Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2008-06-05
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
著者Nolte, R.T.
登録日2008-06-06
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
6UTL
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BU of 6utl by Molmil
Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide
分子名称: Peroxiredoxin TSA2
著者Tairum, C.A, Bannitz-Fernandes, R, Tonoli, C.C.C, Murakami, M.T, de Oliveira, M.A, Netto, L.E.S.
登録日2019-10-29
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Reduction of sulfenic acids by ascorbate in proteins, connecting thiol-dependent to alternative redox pathways.
Free Radic Biol Med, 156, 2020
4EV6
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BU of 4ev6 by Molmil
The complete structure of CorA magnesium transporter from Methanocaldococcus jannaschii
分子名称: MAGNESIUM ION, Magnesium transport protein CorA, UNDECYL-MALTOSIDE
著者Guskov, A, Nordin, N, Reynaud, A, Engman, H, Lundback, A.-K, Jong, A.J.O, Cornvik, T, Phua, T, Eshaghi, S.
登録日2012-04-25
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the mechanisms of Mg2+ uptake, transport, and gating by CorA
Proc.Natl.Acad.Sci.USA, 109, 2012
6RRG
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BU of 6rrg by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3,5-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-17
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.127 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6X1J
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BU of 6x1j by Molmil
The homing endonuclease I-WcaI bound to its DNA recognition sequence
分子名称: DNA (25-mer), POTASSIUM ION, Probable intron-encoded endonuclease 1
著者Nawimanage, R, Lohman, J.R, Gimble, F.S.
登録日2020-05-19
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Structure-Function Studies of Two Yeast Homing Endonucleases that Evolved to Cleave Identical Targets with Dissimilar Rates and Specificities.
J.Mol.Biol., 434, 2022
8GIX
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BU of 8gix by Molmil
Chaetomium thermophilum Hir3
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, Histone transcription regulator 3 homolog
著者Szurgot, M.R, van Eeuwen, T, Kim, H.J, Marmorstein, R.
登録日2023-03-14
公開日2024-07-10
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the Hir histone chaperone complex.
Mol.Cell, 84, 2024
2HDF
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BU of 2hdf by Molmil
Crystal structure of the Colicin I receptor Cir from E.coli
分子名称: Colicin I receptor, N-OCTYL-2-HYDROXYETHYL SULFOXIDE, STRONTIUM ION
著者Buchanan, S.K, Esser, L, Lukacik, P.
登録日2006-06-20
公開日2007-05-08
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of colicin I receptor bound to the R-domain of colicin Ia: implications for protein import.
Embo J., 26, 2007
6RS5
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BU of 6rs5 by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-05-21
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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
3H43
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BU of 3h43 by Molmil
N-terminal domain of the proteasome-activating nucleotidase of Methanocaldococcus jannaschii
分子名称: Proteasome-activating nucleotidase
著者Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y.
登録日2009-04-17
公開日2009-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
4F2I
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BU of 4f2i by Molmil
Crystal structure of glutaredoxin-like NrdH from Mycobacterium tuberculosis
分子名称: Glutaredoxin NrdH, putative, NITRATE ION
著者Phulera, S, Mande, S.C.
登録日2012-05-08
公開日2013-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Crystal Structure of Mycobacterium tuberculosis NrdH at 0.87 A Suggests a Possible Mode of Its Activity.
Biochemistry, 52, 2013
5GLS
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BU of 5gls by Molmil
Structure of bovine Lactoperoxidase with a partially modified covalent bond with heme moiety
分子名称: 1-(OXIDOSULFANYL)METHANAMINE, 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Tiwari, P, Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P.
登録日2016-07-12
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution
Biochim. Biophys. Acta, 1865, 2016
5CCL
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BU of 5ccl by Molmil
Crystal structure of SMYD3 with SAM and oxindole compound
分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ...
著者Boriack-Sjodin, P.A.
登録日2015-07-02
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
4IE4
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BU of 4ie4 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
分子名称: 8-hydroxyquinoline-5-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5048 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
8A8F
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BU of 8a8f by Molmil
Crystal structure of Glc7 phosphatase in complex with the regulatory region of Ref2
分子名称: MANGANESE (II) ION, PHOSPHATE ION, RNA end formation protein 2, ...
著者Carminati, M, Manav, C.M, Bellini, D, Passmore, L.A.
登録日2022-06-22
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A direct interaction between CPF and RNA Pol II links RNA 3' end processing to transcription.
Mol.Cell, 83, 2023
3KSS
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BU of 3kss by Molmil
Structure and Mechanism of the Heavy Metal Transporter CusA
分子名称: COPPER (I) ION, Cation efflux system protein cusA
著者Su, C.-C.
登録日2009-11-23
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.88 Å)
主引用文献Crystal structures of the CusA efflux pump suggest methionine-mediated metal transport.
Nature, 467, 2010

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