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6ETQ
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Atomic resolution structure of RNase A (data collection 7)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
1GXO
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BU of 1gxo by Molmil
Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid
分子名称: CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
著者Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
登録日2002-04-08
公開日2002-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
4H25
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BU of 4h25 by Molmil
TCR interaction with peptide mimics of nickel offers structure insights to nickel contact allergy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Kappler, J.W, Yin, L, Dai, S, Marrack, P, Crawford, F.
登録日2012-09-12
公開日2013-10-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献T-cell receptor (TCR) interaction with peptides that mimic nickel offers insight into nickel contact allergy.
Proc.Natl.Acad.Sci.USA, 109, 2012
6ETN
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BU of 6etn by Molmil
Atomic resolution structure of RNase A (data collection 4)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6FAK
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Human afamin orthorhombic crystal form by controlled hydration
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rupp, B, Naschberger, A, Bowler, M.W.
登録日2017-12-15
公開日2019-01-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
4L52
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Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
分子名称: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
7L64
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C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Lewis-a
分子名称: CALCIUM ION, Macrophage mannose receptor 1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Weis, W.I, Feinberg, H.
登録日2020-12-23
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
3W8J
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Crystal structure of P5 a0 in a complex with Prx4 c-term
分子名称: C-terminal peptide from Peroxiredoxin-4, GLYCEROL, POTASSIUM ION, ...
著者Inaba, K, Suzuki, M, Kojima, R.
登録日2013-03-13
公開日2013-09-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding
Sci Rep, 3, 2013
7L65
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C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Methyl-GlcNAc
分子名称: CALCIUM ION, Macrophage mannose receptor 1, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
著者Weis, W.I, Feinberg, H.
登録日2020-12-23
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
4IIS
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BU of 4iis by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ...
著者Rodriguez-Romero, A, Hernandez-Santoyo, A.
登録日2012-12-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6676 Å)
主引用文献Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
3VWW
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BU of 3vww by Molmil
Crystal structure of a0-domain of P5 from H. sapiens
分子名称: PHOSPHATE ION, Protein disulfide-isomerase A6
著者Inaba, K, Suzuki, M.
登録日2012-09-03
公開日2013-09-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding
Sci Rep, 3, 2013
3QV7
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BU of 3qv7 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25.
分子名称: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ...
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV6
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BU of 3qv6 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80.
分子名称: 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV8
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Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid.
分子名称: 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
8EJA
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BU of 8eja by Molmil
Computational design of potent and selective inhibitors of Bak and Bax
分子名称: aBAK
著者Bera, A.K, Berger, S.A, Baker, D.
登録日2022-09-16
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Computational design of potent and selective inhibitors of Bak and Bax
To Be Published
4N7C
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BU of 4n7c by Molmil
Structural re-examination of native Bla g 4
分子名称: 4-(2-aminoethyl)phenol, Bla g 4 allergen variant 1, CITRIC ACID, ...
著者Offermann, L.R, Chan, S.L, Osinski, T, Tan, Y.W, Chew, F.T, Sivaraman, J, Mok, Y.K, Minor, W, Chruszcz, M.
登録日2013-10-15
公開日2014-05-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The major cockroach allergen Bla g 4 binds tyramine and octopamine.
Mol.Immunol., 60, 2014
8FQC
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BU of 8fqc by Molmil
Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
分子名称: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-05
公開日2024-01-31
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOU
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Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube
分子名称: Virion-associated protein
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-03
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOY
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Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath
分子名称: Tail sheath protein
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-03
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8FOP
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BU of 8fop by Molmil
Structure of Agrobacterium tumefaciens bacteriophage Milano curved tail
分子名称: Tail sheath protein, Virion-associated protein
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-03
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
8GJV
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Chemical synthesis of maxamycins: Intermediate compound 10
分子名称: Intermediate compound 10 for maxamycins synthesis, METHANOL
著者Stanfield, R.L, Moore, M.J, Boger, D.L.
登録日2023-03-16
公開日2023-06-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Divergent Total Synthesis and Characterization of Maxamycins.
J.Am.Chem.Soc., 145, 2023
3QV9
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BU of 3qv9 by Molmil
Crystal structure of Trypanosoma cruzi pyruvate kinase(TcPYK)in complex with ponceau S.
分子名称: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
4IAQ
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Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
分子名称: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
著者Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
登録日2012-12-07
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IAR
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BU of 4iar by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine
著者Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
登録日2012-12-07
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013

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