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4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
Authors:Pouzieux, S, Maignan, S, Crenne, J.Y.
Deposit date:2014-09-05
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
7BHO
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BU of 7bho by Molmil
DNA origami signpost designed model
Descriptor: DNA, DNA scaffold
Authors:Silvester, E, Vollmer, B, Prazak, V, Vasishtan, D, Machala, E.A, Whittle, C, Black, S, Bath, J, Turberfield, A.J, Gruenewald, K, Baker, L.A.
Deposit date:2021-01-11
Release date:2021-04-14
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (36.439999 Å)
Cite:DNA origami signposts for identifying proteins on cell membranes by electron cryotomography.
Cell, 184, 2021
6QFS
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BU of 6qfs by Molmil
Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
Authors:Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R.
Deposit date:2019-01-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
4BF4
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BU of 4bf4 by Molmil
PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino group
Descriptor: 1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Podust, L.M.
Deposit date:2013-03-14
Release date:2014-03-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Recognition of Synthetic Substrates by P450 Pikc
To be Published
4BJ8
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BU of 4bj8 by Molmil
Zebavidin
Descriptor: BIOTIN, GLYCEROL, ZEBAVIDIN
Authors:Airenne, T.T, Parthiban, M, Niederhauser, B, Zmurko, J, Kulomaa, M.S, Hytonen, V.P, Johnson, M.S.
Deposit date:2013-04-17
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Zebavidin
Plos One, 8, 2013
4UAG
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BU of 4uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ...
Authors:Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O.
Deposit date:1999-03-09
Release date:2000-03-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
4UPJ
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BU of 4upj by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 PROTEASE MUTANT WITH LYS 57 REPLACED BY LEU (K57L) COMPLEX WITH U097410 [4-HYDROXY-3-[1-[3-[[[[(TERT-BUTYLOXYCARBONYL) AMINOMETHYL]CARBONYL]AMINO]PHENYL]PROPYL]COUMARIN
Descriptor: ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N.
Deposit date:1996-03-04
Release date:1996-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors.
J.Med.Chem., 38, 1995
4UKD
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BU of 4ukd by Molmil
UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, UDP, BERYLLIUM FLUORIDE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM DIFLUORIDE, MAGNESIUM ION, ...
Authors:Schlichting, I, Reinstein, J.
Deposit date:1997-05-20
Release date:1998-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative.
Biochemistry, 36, 1997
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
4VUB
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BU of 4vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
6WJE
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BU of 6wje by Molmil
Copper resistance protein copG- Form 2
Descriptor: ACETATE ION, COPPER (II) ION, DUF411 domain-containing protein, ...
Authors:Hausrath, A.C, Ly, A.T, McEvoy, M.M.
Deposit date:2020-04-13
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The bacterial copper resistance protein CopG contains a cysteine-bridged tetranuclear copper cluster.
J.Biol.Chem., 295, 2020
6X5I
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BU of 6x5i by Molmil
Cryo-EM of peptide-like filament of 1-KMe3
Descriptor: 1-KMe3 peptide-like fibril
Authors:Wang, F, Feng, Z, Xu, B, Egelman, E.H.
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Artificial Intracellular Filaments.
Cell Rep Phys Sci, 1, 2020
6WK1
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BU of 6wk1 by Molmil
SETD3 in Complex with an Actin Peptide with His73 Replaced with Methionine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2020-04-15
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
1RJA
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BU of 1rja by Molmil
Solution Structure and Backbone Dynamics of the Nonreceptor Tyrosine Kinase PTK6/Brk SH2 Domain
Descriptor: Tyrosine-protein kinase 6
Authors:Hong, E, Shin, J, Lee, W.
Deposit date:2003-11-18
Release date:2004-07-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure and Backbone Dynamics of the Non-receptor Protein-tyrosine Kinase-6 Src Homology 2 Domain
J.Biol.Chem., 279, 2004
5Z26
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BU of 5z26 by Molmil
solution structure of SMAP-18
Descriptor: SMAP-18
Authors:Jung, B, Lee, C.W.
Deposit date:2017-12-29
Release date:2019-01-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:solution structure of SMAP-18
To Be Published
6DPS
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BU of 6dps by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the oxidised form
Descriptor: Thiol:disulfide interchange protein DsbD, ZINC ION
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-09
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
3M1R
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BU of 3m1r by Molmil
The crystal structure of formimidoylglutamase from Bacillus subtilis subsp. subtilis str. 168
Descriptor: CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Tan, K, Bigelow, L, Trevino, D, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-05
Release date:2010-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:The crystal structure of formimidoylglutamase from Bacillus subtilis subsp. subtilis str. 168
To be Published
3M0W
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BU of 3m0w by Molmil
Structure of S100A4 with PCP
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine, CALCIUM ION, ...
Authors:Ramagopal, U.A, Dulyaninova, N.G, Almo, S.C, Bresnick, A.R.
Deposit date:2010-03-03
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of S100A4 with PCP
To be published
3MMU
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BU of 3mmu by Molmil
Crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima
Descriptor: CADMIUM ION, Endoglucanase, NICKEL (II) ION
Authors:Pereira, J.H, Chen, Z, McAndrew, R.P, Sapra, R, Chhabra, S.R, Sale, K.L, Simmons, B.A, Adams, P.D.
Deposit date:2010-04-20
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Biochemical characterization and crystal structure of endoglucanase Cel5A from the hyperthermophilic Thermotoga maritima.
J.Struct.Biol., 172, 2010
3MQ1
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BU of 3mq1 by Molmil
Crystal Structure of Dust Mite Allergen Der p 5
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Mite allergen Der p 5, ...
Authors:Mueller, G.A, Gosavi, R.A, Krahn, J.M, Edwards, L.L, Cuneo, M.J, Glesner, J, Pomes, A, Chapman, M.D, London, R.E, Pedersen, L.C.
Deposit date:2010-04-27
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Der p 5 crystal structure provides insight into the group 5 dust mite allergens.
J.Biol.Chem., 285, 2010
8SF7
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BU of 8sf7 by Molmil
48-nm doublet microtubule from Tetrahymena thermophila strain MEC17
Descriptor: CFAM166A, CFAM166B, CFAM166C, ...
Authors:Black, C.S, Kubo, S, Yang, S.K, Bui, K.H.
Deposit date:2023-04-10
Release date:2024-05-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Effect of alpha-tubulin acetylation on the doublet microtubule structure.
Elife, 12, 2024
7WJ0
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BU of 7wj0 by Molmil
Solution structure of N-terminal domain (nMazE6) of mycobacterial antitoxin MazE6 from MazEF6 TA system
Descriptor: Antitoxin MazE6
Authors:Kumari, K, Sarma, S.P.
Deposit date:2022-01-05
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and mutational analysis of MazE6-operator DNA complex provide insights into autoregulation of toxin-antitoxin systems.
Commun Biol, 5, 2022
7WNR
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BU of 7wnr by Molmil
Data-driven HADDOCK model of mycobacterial nMazE6-operator DNA complex
Descriptor: Antitoxin MazE6, DNA (5'-D(P*CP*CP*GP*GP*TP*TP*AP*TP*AP*CP*TP*AP*TP*CP*TP*GP*TP*A)-3'), DNA (5'-D(P*TP*AP*CP*AP*GP*AP*TP*AP*GP*TP*AP*TP*AP*AP*CP*CP*GP*G)-3')
Authors:Kumari, K, Sarma, S.P.
Deposit date:2022-01-19
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and mutational analysis of MazE6-operator DNA complex provide insights into autoregulation of toxin-antitoxin systems.
Commun Biol, 5, 2022
1EEG
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BU of 1eeg by Molmil
A(GGGG)A HEXAD PAIRING ALIGMENT FOR THE D(G-G-A-G-G-A-G) SEQUENCE
Descriptor: DNA (5'-D(*GP*GP*AP*GP*GP*A)-3')
Authors:Kettani, A, Gorin, A, Majumdar, A, Hermann, T, Skripkin, E, Zhao, H, Jones, R, Patel, D.J.
Deposit date:2000-01-31
Release date:2000-04-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A dimeric DNA interface stabilized by stacked A.(G.G.G.G).A hexads and coordinated monovalent cations.
J.Mol.Biol., 297, 2000
1EF7
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BU of 1ef7 by Molmil
CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X
Descriptor: CATHEPSIN X
Authors:Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D.
Deposit date:2000-02-07
Release date:2000-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease.
Structure Fold.Des., 8, 2000

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