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6SJY
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BU of 6sjy by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its product ADABA
Descriptor: (2~{S})-4-acetamido-2-azanyl-butanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2019-08-14
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
2J6G
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BU of 2j6g by Molmil
FaeG from F4ac ETEC strain 5_95, produced in tobacco plant chloroplast
Descriptor: ACETATE ION, FAEG
Authors:Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
Deposit date:2006-09-28
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
5JBD
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BU of 5jbd by Molmil
4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L.
Deposit date:2016-04-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
2J74
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BU of 2j74 by Molmil
Structure of Beta-1,4-Galactanase
Descriptor: CALCIUM ION, YVFO, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
Authors:Le Nours, J, De Maria, L, Welner, D, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L.
Deposit date:2006-10-06
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigating the Binding of Beta-1,4-Galactan to Bacillus Licheniformis Beta-1,4-Galactanase by Crystallography and Computational Modeling.
Proteins, 75, 2009
7B9L
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BU of 7b9l by Molmil
MEK1 in complex with compound 23
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
7B94
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BU of 7b94 by Molmil
MEK1 in complex with compound 6
Descriptor: 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Kack, H, Oster, L.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
6T33
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BU of 6t33 by Molmil
The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens
Descriptor: Ruminococcin C
Authors:Chiumento, S, Roblin, C, Bornet, O, Nouailler, M, Muller, C, Basset, C, Kieffer-Jaquinod, S, Coute, Y, Torelli, S, Le Pape, L, Shunemann, V, Jeannot, K, Nicoletti, C, Iranzo, O, Maresca, M, Giardina, T, Fons, M, Devillard, E, Perrier, J, Atta, M, Guerlesquin, F, Lafond, M, Duarte, V.
Deposit date:2019-10-10
Release date:2020-08-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The unusual structure of Ruminococcin C1 antimicrobial peptide confers clinical properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JV5
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BU of 5jv5 by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with Guanosine 5' monophosphate
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-10
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5K6A
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BU of 5k6a by Molmil
Trypanosoma brucei Pteridine reductase 1 (PTR1) in complex with compound 1
Descriptor: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
Deposit date:2016-05-24
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
2J95
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BU of 2j95 by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor: 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
Authors:Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
Deposit date:2006-11-02
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
6T96
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BU of 6t96 by Molmil
Photorhabdus laumondii subsp. laumondii lectin PLL3
Descriptor: Lectin PLL3, SODIUM ION
Authors:Melicher, F, Houser, J, Fujdiarova, E, Faltinek, L, Wimmerova, M.
Deposit date:2019-10-26
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family.
Molecules, 24, 2019
2IDN
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BU of 2idn by Molmil
NMR structure of a new modified Thrombin Binding Aptamer containing a 5'-5' inversion of polarity site
Descriptor: 3'-D(P*GP*G*T)-5'-5'-D(P*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'
Authors:Randazzo, A, Martino, L, Virno, A, Mayol, L, Giancola, C.
Deposit date:2006-09-15
Release date:2007-01-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A new modified thrombin binding aptamer containing a 5'-5' inversion of polarity site.
Nucleic Acids Res., 34, 2006
5KAP
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BU of 5kap by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-(4-(phosphonobutil)hypoxanthine
Descriptor: 4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-06-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5KB1
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BU of 5kb1 by Molmil
Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide
Descriptor: CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ...
Authors:Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2016-06-02
Release date:2016-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
6TG2
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BU of 6tg2 by Molmil
Structure of the PBP/SBP MotA in complex with mannopinic acid from A.tumefacien R10
Descriptor: (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Morera, S, Marty, L.
Deposit date:2019-11-14
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.
Biochem.J., 477, 2020
3FL7
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BU of 3fl7 by Molmil
Crystal structure of the human ephrin A2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ephrin receptor, ...
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-18
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
5KAM
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BU of 5kam by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with Inosine 5' monophosphate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, INOSINIC ACID, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-06-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5JSQ
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BU of 5jsq by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[7-(phosphonoheptyl]guanine
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-09
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
6TM6
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BU of 6tm6 by Molmil
MUC2 CysD1 domain
Descriptor: CALCIUM ION, Mucin-2
Authors:Khmelnitsky, L, Fass, D.
Deposit date:2019-12-03
Release date:2020-02-19
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
3JBH
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BU of 3jbh by Molmil
TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS
Descriptor: MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE
Authors:Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R.
Deposit date:2015-09-01
Release date:2016-03-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis.
J. Mol. Biol., 428, 2016
4QSL
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BU of 4qsl by Molmil
Crystal Structure of Listeria Monocytogenes Pyruvate Carboxylase
Descriptor: Pyruvate carboxylase
Authors:Choi, P.H, Tong, L.
Deposit date:2014-07-04
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
2JTM
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BU of 2jtm by Molmil
Solution structure of Sso6901 from Sulfolobus solfataricus P2
Descriptor: Putative uncharacterized protein
Authors:Feng, Y, Guo, L, Huang, L, Wang, J.
Deposit date:2007-08-03
Release date:2008-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Biochemical and structural characterization of Cren7, a novel chromatin protein conserved among Crenarchaea
Nucleic Acids Res., 36, 2008
4R15
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BU of 4r15 by Molmil
High-resolution crystal structure of Z-DNA in complex with Cr3+ cations
Descriptor: CHROMIUM ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
Deposit date:2014-08-04
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations.
J.Biol.Inorg.Chem., 20, 2015
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
Authors:Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3K1R
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BU of 3k1r by Molmil
Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
Descriptor: Harmonin, Usher syndrome type-1G protein
Authors:Pan, L, Yan, J, Zhang, M.
Deposit date:2009-09-28
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins
Proc.Natl.Acad.Sci.USA, 107, 2010

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