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4QV0
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BU of 4qv0 by Molmil
yCP beta5-A49T-A50V-double mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QZ2
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BU of 4qz2 by Molmil
yCP beta5-M45I mutant in complex with the epoxyketone inhibitor ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-27
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QVY
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BU of 4qvy by Molmil
yCP beta5-A49T-mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWR
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BU of 4qwr by Molmil
yCP beta5-C52F mutant in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-17
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QUY
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BU of 4quy by Molmil
yCP beta5-A49S-mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QW3
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BU of 4qw3 by Molmil
yCP beta5-C63F mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QZ3
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BU of 4qz3 by Molmil
yCP beta5-A49V mutant in complex with the epoxyketone inhibitor ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-27
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4NO9
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BU of 4no9 by Molmil
yCP in complex with Z-Leu-Leu-Leu-epoxyketone
Descriptor: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide, ...
Authors:Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NCV
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BU of 4ncv by Molmil
Foldon domain wild type N-conjugate
Descriptor: Fibritin
Authors:Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J.
Deposit date:2013-10-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
4R00
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BU of 4r00 by Molmil
yCP beta5-C52F mutant in complex with Omuralide
Descriptor: CHLORIDE ION, MAGNESIUM ION, Omuralide, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-29
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QVN
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BU of 4qvn by Molmil
yCP beta5-M45V mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-15
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWF
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BU of 4qwf by Molmil
yCP beta5-M45I mutant in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4S39
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BU of 4s39 by Molmil
IspG in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3C
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BU of 4s3c by Molmil
IspG in complex with Epoxide Intermediate
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-05-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
2MKL
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BU of 2mkl by Molmil
Solution structure of the fourth constant immunoglobulin domain of nurse shark IgNAR
Descriptor: Novel antigen receptor
Authors:Hennig, J, Sattler, M.
Deposit date:2014-02-10
Release date:2014-07-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins.
Proc.Natl.Acad.Sci.USA, 111, 2014
6CW8
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BU of 6cw8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-03-30
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
6CFD
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BU of 6cfd by Molmil
ADEP4 bound to E. faecium ClpP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2018-02-14
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
Descriptor: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
Authors:Griffith, E.C, Lee, R.E.
Deposit date:2017-05-26
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
1E94
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BU of 1e94 by Molmil
HslV-HslU from E.coli
Descriptor: HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M.
Deposit date:2000-10-07
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
1DO2
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BU of 1do2 by Molmil
TRIGONAL CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (HEAT SHOCK LOCUS U)
Authors:Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1DO0
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BU of 1do0 by Molmil
ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ...
Authors:Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
8ALK
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BU of 8alk by Molmil
Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1
Descriptor: 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2022-08-01
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
8AGG
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BU of 8agg by Molmil
Structure of the Legionella phosphocholine hydrolase Lem3
Descriptor: MAGNESIUM ION, Phosphocholine hydrolase Lem3
Authors:Kaspers, M.S, Itzen, A, Pogenberg, V.
Deposit date:2022-07-20
Release date:2023-04-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023

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