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5AL0
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BU of 5al0 by Molmil
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O-sulfate
Descriptor: DIMETHYL SULFOXIDE, RESVERATROL-3-O-SULFATE, SULFATE ION, ...
Authors:Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
8ITG
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BU of 8itg by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide variant MslAW21G
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
5A71
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BU of 5a71 by Molmil
Open and closed conformations and protonation states of Candida antarctica Lipase B: atomic resolution native
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ...
Authors:Stauch, B, Fisher, S.J, Cianci, M.
Deposit date:2015-07-02
Release date:2015-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015
8J53
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BU of 8j53 by Molmil
Crystal structure of Bacteroides salyersiae GH31 alpha-galactosidase
Descriptor: GH31 alpha-galactosidase
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
8J51
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BU of 8j51 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase in complex with galactose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
8IQB
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BU of 8iqb by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain
Descriptor: Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
Descriptor: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Authors:Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-08-14
Release date:2016-06-15
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
8IQD
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BU of 8iqd by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+ and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8J50
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BU of 8j50 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
8J52
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BU of 8j52 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase mutant D304A in complex with alpha-1,4-galactobiose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
Authors:Ikegaya, M, Miyazaki, T.
Deposit date:2023-04-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
5AB5
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BU of 5ab5 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-II.
Descriptor: SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5ADG
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BU of 5adg by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5A9I
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BU of 5a9i by Molmil
Crystal structure of the extracellular domain of PepT2
Descriptor: CITRIC ACID, GLYCEROL, SOLUTE CARRIER FAMILY 15 MEMBER 2
Authors:Beale, J.H, Newstead, S.
Deposit date:2015-07-21
Release date:2015-09-09
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal Structures of the Extracellular Domain from Pept1 and Pept2 Provide Novel Insights Into Mammalian Peptide Transport
Structure, 23, 2015
5B8A
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BU of 5b8a by Molmil
Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN
Descriptor: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION
Authors:Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G.
Deposit date:2016-06-14
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
5BO6
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BU of 5bo6 by Molmil
Structure of human sialyltransferase ST8SiaIII in complex with CDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Volkers, G, Worrall, L, Strynadka, N.C.J.
Deposit date:2015-05-27
Release date:2015-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation.
Nat.Struct.Mol.Biol., 22, 2015
8JIY
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BU of 8jiy by Molmil
A carbohydrate binding domain of a putative chondroitinase
Descriptor: DUF4955 domain-containing protein
Authors:Liu, G.C, Chang, Y.G.
Deposit date:2023-05-29
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and structural characterization of a novel chondroitin sulfate-specific carbohydrate-binding module: The first member of a new family, CBM100.
Int.J.Biol.Macromol., 255, 2024
5BQQ
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BU of 5bqq by Molmil
Human insulin with intra-chain chemical crosslink between modified B27 and B30
Descriptor: CHLORIDE ION, Insulin, PHENOL, ...
Authors:Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
Deposit date:2015-05-29
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
8ITA
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BU of 8ita by Molmil
A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin
Descriptor: 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J.
Deposit date:2023-03-22
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
5AM7
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BU of 5am7 by Molmil
FGFR1 mutant with an inhibitor
Descriptor: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1
Authors:Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
5BN6
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BU of 5bn6 by Molmil
Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose
Descriptor: Jacalin, beta-D-galactopyranose
Authors:Vieira Neto, A.E, Pereira, H.M, Moreno, F.B.M.B, Moreira, A.C.O.M, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A.
Deposit date:2015-05-25
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6499 Å)
Cite:Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose
To Be Published
5B0F
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BU of 5b0f by Molmil
Polyketide cyclase OAC from Cannabis sativa, Y72F mutant
Descriptor: GLYCEROL, Olivetolic acid cyclase
Authors:Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H.
Deposit date:2015-10-28
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
5BO9
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BU of 5bo9 by Molmil
Structure of human sialyltransferase ST8SiaIII in complex with CMP-3FNeu5Ac and Sia-6S-LacNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Volkers, G, Worrall, L, Strynadka, N.C.J.
Deposit date:2015-05-27
Release date:2015-07-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human ST8SiaIII sialyltransferase provides insight into cell-surface polysialylation.
Nat.Struct.Mol.Biol., 22, 2015
8J1C
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BU of 8j1c by Molmil
Structure of amino acid dehydrogenase in complex with NADP
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, LYSINE, ...
Authors:Sakuraba, H, Ohshima, T.
Deposit date:2023-04-12
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First crystal structure of an NADP + -dependent l-arginine dehydrogenase belonging to the mu-crystallin family.
Int.J.Biol.Macromol., 249, 2023
8J1G
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BU of 8j1g by Molmil
Structure of amino acid dehydrogenase in complex with NADPH
Descriptor: 1,2-ETHANEDIOL, ARGININE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Ohshima, T.
Deposit date:2023-04-12
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:First crystal structure of an NADP + -dependent l-arginine dehydrogenase belonging to the mu-crystallin family.
Int.J.Biol.Macromol., 249, 2023
5BPM
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BU of 5bpm by Molmil
Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-28
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published

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