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6XRX
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BU of 6xrx by Molmil
Crystal structure of the mosquito protein AZ1 as an MBP fusion
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Pedersen, L.C, Mueller, G.A, Foo, A.C.Y.
Deposit date:2020-07-14
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The mosquito protein AEG12 displays both cytolytic and antiviral properties via a common lipid transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
4AYO
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BU of 4ayo by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, ...
Authors:Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
3ND3
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BU of 3nd3 by Molmil
Uhelix 16-mer dsRNA
Descriptor: 5'-R(*AP*GP*AP*GP*AP*AP*GP*AP*UP*UP*UP*UP*UP*UP*UP*U)-3', POTASSIUM ION, SODIUM ION
Authors:Mooers, B.H, Singh, A.
Deposit date:2010-06-07
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:The crystal structure of an oligo(U):pre-mRNA duplex from a trypanosome RNA editing substrate.
Rna, 17, 2011
4BGQ
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BU of 4bgq by Molmil
Crystal structure of the human CDKL5 kinase domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CYCLIN-DEPENDENT KINASE-LIKE 5, ...
Authors:Canning, P, Krojer, T, Goubin, S, Mahajan, P, Vollmar, M, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-03-28
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
8IHX
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BU of 8ihx by Molmil
X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M.
Deposit date:2023-02-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
8IHY
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BU of 8ihy by Molmil
X-ray crystal structure of Q387E mutant of endo-1,4-beta glucanase from Eisenia fetida
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M.
Deposit date:2023-02-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
6XPC
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BU of 6xpc by Molmil
Structure of human GGT1 in complex with full GSH molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ...
Authors:Terzyan, S.S, Hanigan, M.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
4AU5
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BU of 4au5 by Molmil
Structure of the NhaA dimer, crystallised at low pH
Descriptor: DODECYL-ALPHA-D-MALTOSIDE, NA(+)/H(+) ANTIPORTER NHAA, SULFATE ION
Authors:Drew, D, Lee, C, Iwata, S, Cameron, A.D.
Deposit date:2012-05-14
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.696 Å)
Cite:Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights.
J. Gen. Physiol., 144, 2014
8HV1
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BU of 8hv1 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 1
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ...
Authors:Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
3NDT
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BU of 3ndt by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Geremia, S, Olajuyigbe, F.M, Demitri, N.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
3Q4W
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BU of 3q4w by Molmil
The structure of archaeal inorganic pyrophosphatase in complex with substrate
Descriptor: BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ...
Authors:Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D.
Deposit date:2010-12-24
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.441 Å)
Cite:Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
3PK4
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BU of 3pk4 by Molmil
Urate oxidase under 3.2 MPa / 32 bars pressure of xenon
Descriptor: 8-AZAXANTHINE, SODIUM ION, Uricase, ...
Authors:Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H.
Deposit date:2010-11-11
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study.
Faseb J., 25, 2011
8HU4
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BU of 8hu4 by Molmil
Limosilactobacillus reuteri N1 GtfB
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-22
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
3PKG
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BU of 3pkg by Molmil
Urate oxidase under 2 MPa / 20 bars pressure of xenon
Descriptor: 8-AZAXANTHINE, SODIUM ION, Uricase, ...
Authors:Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H.
Deposit date:2010-11-11
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study.
Faseb J., 25, 2011
8HUF
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BU of 8huf by Molmil
B28 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
3PYX
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BU of 3pyx by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and 2-aminoterephthalate
Descriptor: 1,2-ETHANEDIOL, 2-aminobenzene-1,4-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-13
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
8HWK
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BU of 8hwk by Molmil
Limosilactobacillus reuteri N1 GtfB-maltohexaose
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HW3
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BU of 8hw3 by Molmil
Limosilactobacillus reuteri N1 GtfB-acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-28
Release date:2024-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
3Q2I
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BU of 3q2i by Molmil
Crystal structure of the WlbA dehydrognase from Chromobactrium violaceum in complex with NADH and UDP-GlcNAcA at 1.50 A resolution
Descriptor: (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, ...
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-12-20
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and Structural Characterization of WlbA from Bordetella pertussis and Chromobacterium violaceum: Enzymes Required for the Biosynthesis of 2,3-Diacetamido-2,3-dideoxy-d-mannuronic Acid.
Biochemistry, 50, 2011
6XKG
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BU of 6xkg by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-26
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
6XL8
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BU of 6xl8 by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-28
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PYM
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BU of 3pym by Molmil
Structure of GAPDH 3 from S.cerevisiae at 2.0 A resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase 3, MESO-ERYTHRITOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Garcia-Saez, I, Kozielski, F, Job, D, Boscheron, C.
Deposit date:2010-12-13
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:

7JHK
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BU of 7jhk by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 in unliganded form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hao, Y, Huang, X.
Deposit date:2020-07-20
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3436 Å)
Cite:Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
8HWN
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BU of 8hwn by Molmil
aldo-keto reductase DepB
Descriptor: CHLORIDE ION, DepB, SODIUM ION
Authors:Chen, M, Yang, H, Lu, F.
Deposit date:2022-12-31
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of DepB capable of DON detoxification
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数据于2024-09-18公开中

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