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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
7X1C
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BU of 7x1c by Molmil
Crystal structure of peptide VSFIEFVI in complex with HLA-B5801
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA-B, ...
Authors:Huan, X, Ren, E.C.
Deposit date:2022-02-23
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.409 Å)
Cite:Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
1YBU
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BU of 1ybu by Molmil
Mycobacterium tuberculosis adenylyl cyclase Rv1900c CHD, in complex with a substrate analog.
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, lipJ
Authors:Sinha, S.C, Wetterer, M, Sprang, S.R, Schultz, J.E, Linder, J.U.
Deposit date:2004-12-21
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Origin of asymmetry in adenylyl cyclases: structures of Mycobacterium tuberculosis Rv1900c.
Embo J., 24, 2005
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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
6CES
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BU of 6ces by Molmil
Cryo-EM structure of GATOR1-RAG
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M.
Deposit date:2018-02-12
Release date:2018-03-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes.
Nature, 556, 2018
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
7XOL
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BU of 7xol by Molmil
Cryo-EM structure of single empty ring 2 (SER2) of GroEL-UGT1A complex at 3.2 Ang. resolution
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
1JFA
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BU of 1jfa by Molmil
Trichodiene Synthase from Fusarium Sporotrichioides
Descriptor: 1,2-ETHANEDIOL, TRICHODIENE SYNTHASE
Authors:Rynkiewicz, M.J, Cane, D.E, Christianson, D.W.
Deposit date:2001-06-20
Release date:2001-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of trichodiene synthase from Fusarium sporotrichioides provides mechanistic inferences on the terpene cyclization cascade.
Proc.Natl.Acad.Sci.USA, 98, 2001
5OBT
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BU of 5obt by Molmil
Fully activated A. thaliana legumain isoform gamma in complex with Ac-YVAD-CMK
Descriptor: Ac-YVAD-CMK, Vacuolar-processing enzyme gamma-isozyme
Authors:Zauner, B.F, Dall, E, Brandstetter, H.
Deposit date:2017-06-29
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analyses ofArabidopsis thalianalegumain gamma reveal differential recognition and processing of proteolysis and ligation substrates.
J. Biol. Chem., 293, 2018
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
1NPJ
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BU of 1npj by Molmil
Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W.
Deposit date:2003-01-18
Release date:2003-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reconstitution of the type-1 active site of the H145G/A variants of nitrite reductase by ligand insertion
Biochemistry, 42, 2003
7XOJ
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BU of 7xoj by Molmil
Cryo-EM structure of GroEL bound to unfolded substrate (UGT1A) at 2.8 Ang. resolution (Consensus Refinement)
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
4EC4
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BU of 4ec4 by Molmil
XIAP-BIR3 in complex with a potent divalent Smac mimetic
Descriptor: (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 4, ...
Authors:Mastrangelo, E, Cossu, F, Bolognesi, M, Milani, M.
Deposit date:2012-03-26
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic.
Plos One, 7, 2012
4EW5
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BU of 4ew5 by Molmil
C-terminal domain of inner membrane protein CigR from Salmonella enterica.
Descriptor: 1,2-ETHANEDIOL, CigR Protein
Authors:Osipiuk, J, Xu, X, Cui, H, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Niemann, G.S, Merkley, E.D, Savchenko, A, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP)
Deposit date:2012-04-26
Release date:2012-05-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:C-terminal domain of inner membrane protein CigR from Salmonella enterica.
To be Published
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
7XOK
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BU of 7xok by Molmil
Cryo-EM structure of double occupied ring (DOR) of GroEL-UGT1A complex at 2.7 Ang. resolution
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
3BA0
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BU of 3ba0 by Molmil
Crystal structure of full-length human MMP-12
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I.
Deposit date:2007-11-07
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
4NCT
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BU of 4nct by Molmil
Human DYRK1A in complex with PKC412
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412
Authors:Alexeeva, M.O, Rothweiler, U.
Deposit date:2013-10-25
Release date:2015-04-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine.
Acta Crystallogr.,Sect.D, 71, 2015
1GG8
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BU of 1gg8 by Molmil
DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS
Descriptor: ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ...
Authors:Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C.
Deposit date:2000-07-30
Release date:2000-08-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds.
Biochemistry, 33, 1994
7EQZ
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BU of 7eqz by Molmil
Crystal structure of Carboxypeptidase B complexed with Potato Carboxypeptidase Inhibitor
Descriptor: Carboxypeptidase B, GLYCINE, Metallocarboxypeptidase inhibitor, ...
Authors:Choong, Y.K, Gavor, E, Jobichen, C, Sivaraman, J.
Deposit date:2021-05-05
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Aedes aegypti carboxypeptidase B1-inhibitor complex uncover the disparity between mosquito and non-mosquito insect carboxypeptidase inhibition mechanism.
Protein Sci., 30, 2021
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Descriptor: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
3Q7H
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BU of 3q7h by Molmil
Structure of the ClpP subunit of the ATP-dependent Clp Protease from Coxiella burnetii
Descriptor: ATP-dependent Clp protease proteolytic subunit, CALCIUM ION, DI(HYDROXYETHYL)ETHER
Authors:Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-04
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the ClpP subunit of the ATP-dependent Clp Protease from Coxiella burnetii
To be Published
5G5A
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BU of 5g5a by Molmil
Glutathione transferase U25 from Arabidopsis thaliana in complex with glutathione disulfide
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE U25
Authors:Ahmad, L, Rylott, E, Bruce, N.C, Grogan, G.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Glutathione Transferase U25 from Arabidopsis Thaliana
To be Published
6CI8
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BU of 6ci8 by Molmil
Structure of the microcompartment-associated aminoacetone dehydrogenase
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, CHLORIDE ION
Authors:Mallette, E, Kimber, M.S.
Deposit date:2018-02-23
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Kinetics of the S-(+)-1-Amino-2-propanol Dehydrogenase from the RMM Microcompartment of Mycobacterium smegmatis.
Biochemistry, 57, 2018

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