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6ZW1
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X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
著者Barinka, C, Motlova, L, Ustinova, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
5X54
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Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
分子名称: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2017-02-14
公開日2017-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Ishigami, I, Yeh, S.-R, Rousseau, D.L.
登録日2023-03-02
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
3E2R
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BU of 3e2r by Molmil
Crystal Structure PutA86-630 Mutant Y540S Complexed with L-tetrahydro-2-furoic acid
分子名称: CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Tanner, J.J.
登録日2008-08-06
公開日2009-02-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A conserved active site tyrosine residue of proline dehydrogenase helps enforce the preference for proline over hydroxyproline as the substrate.
Biochemistry, 48, 2009
4EJF
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Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
分子名称: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
著者Murray, J.M.
登録日2012-04-06
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6465 Å)
主引用文献Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
4ITE
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BU of 4ite by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3
分子名称: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
4ITL
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Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom resolution
分子名称: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Tetraacyldisaccharide 4'-kinase
著者Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
登録日2013-01-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
3VD1
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BU of 3vd1 by Molmil
structure of p73 DNA binding domain tetramer modulates p73 transactivation
分子名称: DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), Tumor protein p73, ZINC ION
著者Ethayathulla, A.S, Tse, P.W, Nguyen, S, Viadiu, H.
登録日2012-01-04
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of p73 DNA-binding domain tetramer modulates p73 transactivation.
Proc.Natl.Acad.Sci.USA, 109, 2012
352D
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BU of 352d by Molmil
THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION
分子名称: CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION
著者Phillips, K, Dauter, Z, Murchie, A.I.H, Lilley, D.M.J, Luisi, B.
登録日1997-09-04
公開日1997-11-10
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献The crystal structure of a parallel-stranded guanine tetraplex at 0.95 A resolution.
J.Mol.Biol., 273, 1997
4ITM
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Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
登録日2013-01-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1994 Å)
主引用文献Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
7KS6
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BU of 7ks6 by Molmil
STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS
分子名称: 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose
著者Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H.
登録日2020-11-21
公開日2020-12-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
6PU8
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BU of 6pu8 by Molmil
Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease
著者Kovalevsky, A, Das, A.
登録日2019-07-17
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
5UME
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BU of 5ume by Molmil
Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae
分子名称: 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate reductase, ACETIC ACID, ...
著者Kim, Y, Mulligan, R, Maltseva, N, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-01-27
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae
To Be Published
4JNY
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BU of 4jny by Molmil
Crystal structure of PutA86-630 mutant D370A complexed with L-Tetrahydro-2-furoic acid
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Tanner, J.J.
登録日2013-03-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
3F31
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BU of 3f31 by Molmil
Crystal Structure of the N-terminal region of AlphaII-spectrin Tetramerization Domain
分子名称: Spectrin alpha chain, brain
著者Mehboob, S, Santarsiero, B.D, Long, F, Witek, M, Fung, L.W.
登録日2008-10-30
公開日2009-10-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the nonerythroid alpha-spectrin tetramerization site reveals differences between erythroid and nonerythroid spectrin tetramer formation.
J.Biol.Chem., 285, 2010
7KMK
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BU of 7kmk by Molmil
cryo-EM structure of SARS-CoV-2 spike in complex with Fab 15033-7, two RBDs bound
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, Fab 15033-7 heavy chain, ...
著者Li, Z, Rini, J.M.
登録日2020-11-03
公開日2021-02-10
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
7KLG
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BU of 7klg by Molmil
SARS-CoV-2 RBD in complex with Fab 15033
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033 heavy chain, Fab 15033 light chain, ...
著者Li, Z, Rini, J.M.
登録日2020-10-30
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
7KML
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BU of 7kml by Molmil
cryo-EM structure of SARS-CoV-2 spike in complex with Fab 15033-7, three RBDs bound
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, Fab 15033-7 heavy chain, ...
著者Li, Z, Rini, J.M.
登録日2020-11-03
公開日2021-02-10
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
4JNZ
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BU of 4jnz by Molmil
Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
著者Tanner, J.J.
登録日2013-03-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
7KLH
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BU of 7klh by Molmil
SARS-CoV-2 RBD in complex with Fab 15033-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, Fab 15033-7 light chain, ...
著者Li, Z, Rini, J.M.
登録日2020-10-30
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
3D7J
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BU of 3d7j by Molmil
SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor
分子名称: CHLORIDE ION, SODIUM ION, Uncharacterized protein SCO6650
著者Spoonamore, J.E, Roberts, S.A, Heroux, A, Bandarian, V.
登録日2008-05-21
公開日2008-10-21
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor.
Acta Crystallogr.,Sect.F, 64, 2008
5CP6
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Nucleosome Core Particle with Adducts from the Anticancer Compound, [(eta6-5,8,9,10-tetrahydroanthracene)Ru(ethylenediamine)Cl][PF6]
分子名称: (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl, DNA (145-MER), Histone H2A, ...
著者Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A.
登録日2015-07-21
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An Organometallic Compound which Exhibits a DNA Topology-Dependent One-Stranded Intercalation Mode.
Angew.Chem.Int.Ed.Engl., 55, 2016
3V9D
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BU of 3v9d by Molmil
Crystal structure of the tetra-decanucleotide d(CCCCGGTACCGGGG)2 as an A-DNA duplex
分子名称: DNA (5'-D(*CP*CP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*GP*G)-3'), MANGANESE (II) ION
著者Mandal, P.K, Venkadesh, S, Gautham, N.
登録日2011-12-26
公開日2012-04-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the tetradecanucleotide d(CCCCGGTACCGGGG)2 as an A-DNA duplex
Acta Crystallogr.,Sect.F, 68, 2012
3F1B
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BU of 3f1b by Molmil
The crystal structure of a TetR-like transcriptional regulator from Rhodococcus sp. RHA1.
分子名称: 1,2-ETHANEDIOL, SULFATE ION, TetR-like transcriptional regulator
著者Tan, K, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of a TetR-like transcriptional regulator from Rhodococcus sp. RHA1.
To be Published
7N8L
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PptT PAP(CoA) 9016 complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022

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