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7VL3
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BU of 7vl3 by Molmil
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with phenyl alpha-D-glucoside
Descriptor: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol, CALCIUM ION, beta-1,2-glucosyltransferase
Authors:Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
6L4N
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Domain swapped dimer of Monellin loop1 mutant with QVPAG motif
Descriptor: MAGNESIUM ION, Single chain Monellin
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2019-10-18
Release date:2021-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:Domain swapped dimer of Monellin lopp1 mutant with QVPAG motif
To Be Published
7N3E
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BU of 7n3e by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032
Descriptor: C032 Fab Heavy Chain, C032 Fab Light Chain
Authors:Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-06-01
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7VL6
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BU of 7vl6 by Molmil
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with arbutin
Descriptor: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol, CALCIUM ION, beta-1,2-glucosyltransferase
Authors:Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
6L4I
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BU of 6l4i by Molmil
Monomeric structure of monellin loop1 mutant with QEPKG motif
Descriptor: Single chain Monellin
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2019-10-17
Release date:2021-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Monomer structure of Loop1 mutant Monellin with QEPKG motif
To Be Published
5K68
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BU of 5k68 by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-bu-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
6LAY
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BU of 6lay by Molmil
Domain-swapped dimer structure of a Single-chain Monellin loop1-delta4-QVVAG mutant
Descriptor: Monellin chain B,Monellin chain A
Authors:Manjula, R, Subramanian, R, Gosavi, S.
Deposit date:2019-11-13
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Domain-swapped dimer structure of a Single-chain Monellin loop1-delta4-QVVAG mutant
To Be Published
5K6M
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BU of 5k6m by Molmil
Structure of a GH3 b-glIcosidase from cow rumen metagenome in complex with glucose
Descriptor: B-GLUCOSIDASE, SULFATE ION, beta-D-glucopyranose
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
5DSG
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BU of 5dsg by Molmil
Structure of the M4 muscarinic acetylcholine receptor (M4-mT4L) bound to tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Thal, D.M, Kobilka, B.K, Sexton, P.M, Christopoulos, A.
Deposit date:2015-09-17
Release date:2016-03-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
7N3G
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BU of 7n3g by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098
Descriptor: C098 Fab Heavy Chain, C098 Fab Light Chain
Authors:Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-06-01
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7VDR
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BU of 7vdr by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13
Descriptor: (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
5K71
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BU of 5k71 by Molmil
apo Dbr1
Descriptor: RNA lariat debranching enzyme, putative, SULFATE ION
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
5K0W
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BU of 5k0w by Molmil
Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica
Descriptor: CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ...
Authors:Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J.
Deposit date:2016-05-17
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
7PED
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BU of 7ped by Molmil
DEPTOR DEP domain tandem (DEPt)
Descriptor: DEP domain-containing mTOR-interacting protein
Authors:Waelchli, M, Jakob, R, Maier, T.
Deposit date:2021-08-09
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
5UMZ
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BU of 5umz by Molmil
Structure of TNRC6A NLS in complex with importin-alpha
Descriptor: GLYCEROL, Importin subunit alpha-1, TNRC6A
Authors:Chaston, J, Stewart, A.G, Christie, M.
Deposit date:2017-01-30
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterisation of TNRC6A nuclear localisation signal in complex with importin-alpha.
PLoS ONE, 12, 2017
7VL0
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BU of 7vl0 by Molmil
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with p-nitrophenyl-alpha-D-glucopyranoside
Descriptor: 4-nitrophenyl alpha-D-glucopyranoside, Beta-galactosidase, CALCIUM ION
Authors:Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
7N0Z
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BU of 7n0z by Molmil
Structure of PPM1H phosphatase with manganese ions at the active site
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Protein phosphatase 1H
Authors:Khan, A.R, Waschbusch, D.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
5UNX
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BU of 5unx by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5E7W
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BU of 5e7w by Molmil
X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
Descriptor: ACETATE ION, Insulin, N-PROPANOL, ...
Authors:Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
Deposit date:2015-10-13
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.9519 Å)
Cite:Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
8JNU
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BU of 8jnu by Molmil
Crystal structure of V30G mutated human transthyretin
Descriptor: MAGNESIUM ION, Transthyretin
Authors:Mizuguchi, M, Yamada, S, Obita, T.
Deposit date:2023-06-06
Release date:2024-04-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Trypsin-induced aggregation of transthyretin Valine 30 variants associated with hereditary amyloidosis.
Febs J., 291, 2024
5UOD
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BU of 5uod by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
7N3F
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BU of 7n3f by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080
Descriptor: C080 Fab Heavy Chain, C080 Fab Light Chain
Authors:Flyak, A.I, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-06-01
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
Descriptor: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
Authors:Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
Deposit date:2021-06-21
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
5DUU
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BU of 5duu by Molmil
Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol
Descriptor: GLYCEROL, Galectin-4
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-09-21
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose.
Sci Rep, 6, 2016

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