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2AKP
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BU of 2akp by Molmil
Hsp90 Delta24-N210 mutant
Descriptor: ATP-dependent molecular chaperone HSP82
Authors:Richter, K, Moser, S, Hagn, F, Friedrich, R, Hainzl, O, Heller, M, Schlee, S, Kessler, H, Reinstein, J, Buchner, J.
Deposit date:2005-08-03
Release date:2006-01-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
Authors:Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
Deposit date:2013-02-18
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: MAGNESIUM ION, Serine/threonine-protein phosphatase 5
Authors:Haslbeck, V, Helmuth, M, Alte, F, Popowicz, G, Schmidt, W, Weiwad, M, Fischer, G, Gemmecker, G, Sattler, M, Striggow, F, Groll, M, Richter, K.
Deposit date:2013-02-18
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Heat shock protein STI1
Authors: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.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2012-04-04
Method:SOLUTION NMR
Cite: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
Descriptor: Heat shock protein STI1
Authors: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.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2012-04-04
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Streib, M, Kraeling, K, Richter, K, Steuber, H, Meggers, E.
Deposit date:2013-09-03
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite: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
Descriptor: Heat shock protein, Heat shock protein STI1
Authors: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.
Deposit date:2011-11-19
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Heat shock protein SSA4, Heat shock protein STI1
Authors: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.
Deposit date:2011-11-18
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1, SODIUM ION
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.93 Å)
Cite: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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BU of 5qu3 by Molmil
Crystal Structure of domain swapped human Nck SH3.1, 1.01A, monoclinic
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1, SULFATE ION
Authors:Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1
Authors:Burger, D, Ruf, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.11 Å)
Cite: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
Descriptor: ACE-PRO-PRO-PRO-VAL-PRO-ASN-PRO-ASP-TYR-NH2, Cytoplasmic protein NCK1, SULFATE ION
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (1.04 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.816 Å)
Cite: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
Descriptor: GTP cyclohydrolase 1
Authors:Schuessler, S, Perbandt, M, Fischer, M, Graewert, T.
Deposit date:2014-06-23
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION
Authors:Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P.
Deposit date:2008-02-08
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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
Authors:Vielberg, M.-T, Groll, M.
Deposit date:2015-09-04
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E.
Deposit date:2003-01-31
Release date:2003-10-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E.
Deposit date:2003-01-31
Release date:2003-10-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Marcotte, D.J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.422 Å)
Cite: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
Descriptor: (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
Authors:Marcotte, D.J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Sigma cross-reacting protein 27A (SCRP-27A)
Authors:Schneider, S, Mandel, M, Sieber, S.A.
Deposit date:2016-07-15
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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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