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2AKP
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BU of 2akp by Molmil
Hsp90 Delta24-N210 mutant
分子名称: ATP-dependent molecular chaperone HSP82
著者Richter, K, Moser, S, Hagn, F, Friedrich, R, Hainzl, O, Heller, M, Schlee, S, Kessler, H, Reinstein, J, Buchner, J.
登録日2005-08-03
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Intrinsic inhibition of the Hsp90 ATPase activity.
J.Biol.Chem., 281, 2006
4JA7
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BU of 4ja7 by Molmil
Rat PP5 co-crystallized with P5SA-2
分子名称: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
著者Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
登録日2013-02-18
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Biosci.Rep., 35, 2015
4JA9
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BU of 4ja9 by Molmil
Rat PP5 apo
分子名称: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
著者Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
登録日2013-02-18
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism.
Biosci.Rep., 35, 2015
2LLV
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BU of 2llv by Molmil
Solution structure of the yeast Sti1 DP1 domain
分子名称: Heat shock protein STI1
著者Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
登録日2011-11-17
公開日2012-01-25
最終更新日2012-04-04
実験手法SOLUTION NMR
主引用文献The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
2LLW
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BU of 2llw by Molmil
Solution structure of the yeast Sti1 DP2 domain
分子名称: Heat shock protein STI1
著者Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
登録日2011-11-17
公開日2012-01-25
最終更新日2012-04-04
実験手法SOLUTION NMR
主引用文献The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
3WHW
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BU of 3whw by Molmil
MTH1 in complex with Ruthenium-based inhibitor
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
著者Streib, M, Kraeling, K, Richter, K, Steuber, H, Meggers, E.
登録日2013-09-03
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase.
Angew.Chem.Int.Ed.Engl., 53, 2014
3UQ3
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BU of 3uq3 by Molmil
TPR2AB-domain:pHSP90-complex of yeast Sti1
分子名称: Heat shock protein, Heat shock protein STI1
著者Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
登録日2011-11-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
3UPV
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BU of 3upv by Molmil
TPR2B-domain:pHsp70-complex of yeast Sti1
分子名称: Heat shock protein SSA4, Heat shock protein STI1
著者Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H.
登録日2011-11-18
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
5QU8
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BU of 5qu8 by Molmil
Crystal Structure of symmetric swapped human Nck SH3.1 domain, 0.93A, orthorhombic form IV
分子名称: Cytoplasmic protein NCK1, SODIUM ION
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU3
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Crystal Structure of domain swapped human Nck SH3.1, 1.01A, monoclinic
分子名称: Cytoplasmic protein NCK1
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QUA
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BU of 5qua by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.5A, C2221
分子名称: Cytoplasmic protein NCK1
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU1
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BU of 5qu1 by Molmil
Crystal Structure of the monomeric human Nck SH3.1 domain, triclinic, 1.08A
分子名称: Cytoplasmic protein NCK1, SULFATE ION
著者Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU5
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BU of 5qu5 by Molmil
Domain Swap in the first SH3 domain of human Nck1
分子名称: Cytoplasmic protein NCK1
著者Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU2
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BU of 5qu2 by Molmil
Crystal Structure of human Nck SH3.1 in complex with peptide PPPVPNPDY
分子名称: ACE-PRO-PRO-PRO-VAL-PRO-ASN-PRO-ASP-TYR-NH2, Cytoplasmic protein NCK1, SULFATE ION
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU7
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BU of 5qu7 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.3A, orthorhombic form III
分子名称: Cytoplasmic protein NCK1
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU4
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BU of 5qu4 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.05A, orthorhombic form I
分子名称: Cytoplasmic protein NCK1
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU6
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BU of 5qu6 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.8A, triclinic
分子名称: Cytoplasmic protein NCK1
著者Rudolph, M.G.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
4UQF
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BU of 4uqf by Molmil
CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I
分子名称: GTP cyclohydrolase 1
著者Schuessler, S, Perbandt, M, Fischer, M, Graewert, T.
登録日2014-06-23
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target.
Acta Crystallogr.,Sect.F, 75, 2019
3C7X
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BU of 3c7x by Molmil
Hemopexin-like domain of matrix metalloproteinase 14
分子名称: CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION
著者Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P.
登録日2008-02-08
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions
J.Biol.Chem., 286, 2011
5DL1
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BU of 5dl1 by Molmil
ClpP from Staphylococcus aureus in complex with AV145
分子名称: 1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ATP-dependent Clp protease proteolytic subunit
著者Vielberg, M.-T, Groll, M.
登録日2015-09-04
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reversible Inhibitors Arrest ClpP in a Defined Conformational State that Can Be Revoked by ClpX Association.
Angew.Chem.Int.Ed.Engl., 54, 2015
1NU7
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BU of 1nu7 by Molmil
Staphylocoagulase-Thrombin Complex
分子名称: IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E.
登録日2003-01-31
公開日2003-10-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation
NATURE, 425, 2003
1NU9
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BU of 1nu9 by Molmil
Staphylocoagulase-Prethrombin-2 complex
分子名称: IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E.
登録日2003-01-31
公開日2003-10-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation
NATURE, 425, 2003
6TYM
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BU of 6tym by Molmil
KEAP1 Kelch domain in complex with Compound 9
分子名称: (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Marcotte, D.J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
6TYP
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BU of 6typ by Molmil
KEAP1 Kelch domain in complex with Compound 2
分子名称: (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1
著者Marcotte, D.J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
5LIR
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BU of 5lir by Molmil
Structure of the SALTY Sigma cross-reacting protein 27A (SCRP-27A) from Salmonella typhimurium
分子名称: DI(HYDROXYETHYL)ETHER, Sigma cross-reacting protein 27A (SCRP-27A)
著者Schneider, S, Mandel, M, Sieber, S.A.
登録日2016-07-15
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response.
Angew.Chem.Int.Ed.Engl., 55, 2016

 

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