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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
5DKI
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BU of 5dki by Molmil
Yeast 20S proteasome in complex with alkyne-PI
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Cui, H, Groll, M.
Deposit date:2015-09-03
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 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
5DKJ
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BU of 5dkj by Molmil
Yeast 20S proteasome in complex with octreotide-PI
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Beck, P, Cui, H, Groll, M.
Deposit date:2015-09-03
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
8BRP
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BU of 8brp by Molmil
Peptide Arginase OspR from the cyanobacterium Kamptonema sp.
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L.
Deposit date:2022-11-23
Release date:2023-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
6SM4
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BU of 6sm4 by Molmil
AntF (apo): type II PKS acyl-carrier protein
Descriptor: Acyl carrier protein
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-21
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SMD
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BU of 6smd by Molmil
PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase
Descriptor: Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-21
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6SC4
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BU of 6sc4 by Molmil
Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ...
Authors:Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M.
Deposit date:2019-07-23
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase.
Front Microbiol, 11, 2020
4JCQ
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BU of 4jcq by Molmil
ClpP1 from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UNB
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BU of 3unb by Molmil
Mouse constitutive 20S proteasome in complex with PR-957
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
6SM6
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BU of 6sm6 by Molmil
AntF (holo): type II PKS acyl-carrier protein
Descriptor: Acyl carrier protein
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-21
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
4JCR
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BU of 4jcr by Molmil
ClpP1 N165D mutant from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
6SMP
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BU of 6smp by Molmil
AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
Descriptor: (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-22
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
4J70
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BU of 4j70 by Molmil
Yeast 20S proteasome in complex with the belactosin derivative 3e
Descriptor: Proteasome component C1, Proteasome component C11, Proteasome component C5, ...
Authors:Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S.
Deposit date:2013-02-12
Release date:2013-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action.
J.Med.Chem., 56, 2013
6SMO
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BU of 6smo by Molmil
AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
Descriptor: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
Authors:Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
Deposit date:2019-08-22
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
3UNH
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BU of 3unh by Molmil
Mouse 20S immunoproteasome
Descriptor: CHLORIDE ION, IODIDE ION, POTASSIUM ION, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3UNF
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BU of 3unf by Molmil
Mouse 20S immunoproteasome in complex with PR-957
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, CHLORIDE ION, IODIDE ION, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3UN4
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BU of 3un4 by Molmil
Yeast 20S proteasome in complex with PR-957 (morpholine)
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3UN8
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BU of 3un8 by Molmil
Yeast 20S proteasome in complex with PR-957 (epoxide)
Descriptor: 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3UNE
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BU of 3une by Molmil
Mouse constitutive 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
Deposit date:2011-11-15
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
4JCT
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BU of 4jct by Molmil
ClpP2 from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
5MRM
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BU of 5mrm by Molmil
Arabidopsis thaliana IspD in complex with Isoxazole (4)
Descriptor: 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRO
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BU of 5mro by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRP
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BU of 5mrp by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
6QSO
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BU of 6qso by Molmil
mTFP* closed conformation: I197E-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019

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