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7A4L
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BU of 7a4l by Molmil
PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
Descriptor: IRON/SULFUR CLUSTER, PioC
Authors:Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M.
Deposit date:2020-08-19
Release date:2020-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
7A5U
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BU of 7a5u by Molmil
Structure of E37A BlaC from Mycobacterium tuberculosis
Descriptor: Beta-lactamase
Authors:Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
Deposit date:2020-08-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conserved residues Glu37 and Trp229 play an essential role in protein folding of beta-lactamase.
Febs J., 288, 2021
6UX5
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BU of 6ux5 by Molmil
Structure of acrorhagin I from the sea anemone Actinia equina
Descriptor: U-actitoxin-Aeq5a
Authors:Krishnarjuna, B, Sunanda, P, Norton, R.S.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:A disulfide-stabilised helical hairpin fold in acrorhagin I: An emerging structural motif in peptide toxins.
J.Struct.Biol., 213, 2020
6CR1
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BU of 6cr1 by Molmil
adalimumab EFab
Descriptor: DI(HYDROXYETHYL)ETHER, Heavy chain of adalimumab EFab (VH-IgE CH2), Light chain of adalimumab EFab (VL-IgE CH2), ...
Authors:Arndt, J.W.
Deposit date:2018-03-16
Release date:2018-09-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:EFab domain substitution as a solution to the light-chain pairing problem of bispecific antibodies.
MAbs, 10, 2018
6RUQ
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BU of 6ruq by Molmil
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
Descriptor: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
Deposit date:2019-05-28
Release date:2020-06-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (4.65 Å)
Cite:Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
6TO0
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BU of 6to0 by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 2(3)-alpha-L-arabinofuranosyl-xylotriose.
Descriptor: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-11
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-12
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6TRH
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BU of 6trh by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-18
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
3SI2
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BU of 3si2 by Molmil
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Parthier, C, Carrillo, D, Stubbs, M.T.
Deposit date:2011-06-17
Release date:2011-06-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
2PZ0
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BU of 2pz0 by Molmil
Crystal structure of Glycerophosphodiester Phosphodiesterase (GDPD) from T. tengcongensis
Descriptor: CALCIUM ION, GLYCEROL, Glycerophosphoryl diester phosphodiesterase
Authors:Shi, L, Liu, J.F, An, X.M, Liang, D.C.
Deposit date:2007-05-17
Release date:2008-04-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) from Thermoanaerobacter tengcongensis, a metal ion-dependent enzyme: insight into the catalytic mechanism.
Proteins, 72, 2008
4WK9
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BU of 4wk9 by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.102 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
2PRC
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BU of 2prc by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (UBIQUINONE-2 COMPLEX)
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Lancaster, C.R.D, Michel, H.
Deposit date:1997-07-29
Release date:1998-11-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The coupling of light-induced electron transfer and proton uptake as derived from crystal structures of reaction centres from Rhodopseudomonas viridis modified at the binding site of the secondary quinone, QB.
Structure, 5, 1997
4WKH
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BU of 4wkh by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
4WKF
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BU of 4wkf by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
6R35
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BU of 6r35 by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Lepsik, M, Sommer, R, Kuhaudomlarp, S, Lelimousin, M, Varrot, A, Titz, A, Imberty, A.
Deposit date:2019-03-19
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
6NOU
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BU of 6nou by Molmil
An scFv derived from ixekizumab
Descriptor: GLYCEROL, scFv derived from ixekizumab
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6X3I
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BU of 6x3i by Molmil
NNAS Fc mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose
Authors:Wei, R, Zhou, Y.F.
Deposit date:2020-05-21
Release date:2020-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
6LCE
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BU of 6lce by Molmil
Crystal Structure of beta-L-arabinobiose binding protein - selenomethionine derivative
Descriptor: ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-alpha-L-arabinofuranose
Authors:Miyake, M, Arakawa, T, Fushinobu, S.
Deposit date:2019-11-18
Release date:2020-04-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum.
Febs J., 287, 2020
6LCF
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BU of 6lcf by Molmil
Crystal Structure of beta-L-arabinobiose binding protein - native
Descriptor: ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose
Authors:Miyake, M, Arakawa, T, Fushinobu, S.
Deposit date:2019-11-18
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum.
Febs J., 287, 2020
5JPN
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BU of 5jpn by Molmil
Structure of human complement C4 rebuilt using iMDFF
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ...
Authors:Croll, T.I, Andersen, G.R.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
6OEC
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BU of 6oec by Molmil
Yeast Spc42 Trimeric Coiled-Coil Amino Acids 181-211 fused to PDB: 3H5I
Descriptor: CALCIUM ION, Response regulator/sensory box protein/GGDEF domain protein,Spindle pole body component SPC42
Authors:Drennan, A.C, Shivaani, K, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jasperson, S.L, Rayment, I.
Deposit date:2019-03-27
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.514 Å)
Cite:Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication.
Mol.Biol.Cell, 30, 2019
5JTW
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BU of 5jtw by Molmil
Crystal structure of complement C4b re-refined using iMDFF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A
Authors:Croll, T.I, Andersen, G.R.
Deposit date:2016-05-09
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
6XSJ
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BU of 6xsj by Molmil
X-ray structure of a monoclinic form of alpha amylase from Aspergillus at 1.4 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McPherson, A.
Deposit date:2020-07-15
Release date:2020-10-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
4WEP
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BU of 4wep by Molmil
Apo YehZ from Escerichia coli
Descriptor: Putative osmoprotectant uptake system substrate-binding protein OsmF
Authors:Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M.
Deposit date:2014-09-10
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
4WJX
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BU of 4wjx by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015

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