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5XAG
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BU of 5xag by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z2 complex
Descriptor: (3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhang, H, Luo, C, Wang, Y.
Deposit date:2017-03-12
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
8JAL
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BU of 8jal by Molmil
Structure of CRL2APPBP2 bound with RxxGP degron (dimer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-06
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
4MVL
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BU of 4mvl by Molmil
Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40
Descriptor: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2013-09-24
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
8JAR
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BU of 8jar by Molmil
Structure of CRL2APPBP2 bound with RxxGPAA degron (dimer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
5MCM
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BU of 5mcm by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 20.6 MGy
Descriptor: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
Authors:Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
Deposit date:2016-11-10
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
4Y7P
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BU of 4y7p by Molmil
Structure of alkaline D-peptidase from Bacillus cereus
Descriptor: Alkaline D-peptidase, THIOCYANATE ION
Authors:Nakano, S, Okazaki, S, Ishitsubo, E, Kawahara, N, Komeda, H, Tokiwa, H, Asano, Y.
Deposit date:2015-02-15
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and computational analysis of peptide recognition mechanism of class-C type penicillin binding protein, alkaline D-peptidase from Bacillus cereus DF4-B
Sci Rep, 5, 2015
1FQG
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BU of 1fqg by Molmil
MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE
Descriptor: OPEN FORM - PENICILLIN G, TEM-1 BETA-LACTAMASE
Authors:Strynadka, N.C.
Deposit date:2000-09-05
Release date:2000-11-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular structure of the acyl-enzyme intermediate in beta-lactam hydrolysis at 1.7 A resolution.
Nature, 359, 1992
8G0L
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BU of 8g0l by Molmil
Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies
Descriptor: Alpha-synuclein, CARBOXYMETHYL COENZYME *A, N-alpha-acetyltransferase 20, ...
Authors:Gardner, S.M, Marmorstein, R.
Deposit date:2023-01-31
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies.
Biorxiv, 2023
4I71
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BU of 4i71 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
Descriptor: (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
5MEH
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BU of 5meh by Molmil
Crystal structure of alpha-1,2-mannosidase from Caulobacter K31 strain in complex with 1-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, ACETATE ION, CALCIUM ION, ...
Authors:Males, A, Davies, G.J.
Deposit date:2016-11-14
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Conformational Behaviour of Azasugars Based on Mannuronic Acid.
Chembiochem, 18, 2017
4YKC
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BU of 4ykc by Molmil
Crystal structure of cerebral cavernous malformation 2 C-terminal adaptor domain
Descriptor: Malcavernin
Authors:Ding, J, Wang, X, Wang, D.C.
Deposit date:2015-03-04
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into the Molecular Recognition between Cerebral Cavernous Malformation 2 and Mitogen-Activated Protein Kinase Kinase Kinase 3
Structure, 23, 2015
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
Descriptor: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-15
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
Descriptor: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP2
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BU of 6yp2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011
Descriptor: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPZ
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BU of 6ypz by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6UW4
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BU of 6uw4 by Molmil
Cryo-EM structure of human TRPV3 determined in lipid nanodisc
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, Z, Yuan, P.
Deposit date:2019-11-04
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
Deposit date:2022-11-29
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
8JAQ
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BU of 8jaq by Molmil
Structure of CRL2APPBP2 bound with RxxGP degron (tetramer)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-06
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YQ6
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BU of 6yq6 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8JEA
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BU of 8jea by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannotriose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man)
Descriptor: ACETIC ACID, CACODYLATE ION, MAGNESIUM ION, ...
Authors:Unno, H, Hatakeyama, T.
Deposit date:2023-05-15
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis.
J.Biochem., 175, 2023
1FCJ
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BU of 1fcj by Molmil
CRYSTAL STRUCTURE OF OASS COMPLEXED WITH CHLORIDE AND SULFATE
Descriptor: CHLORIDE ION, O-ACETYLSERINE SULFHYDRYLASE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Burkhard, P, Tai, C, Jansonius, J.N, Cook, P.F.
Deposit date:2000-07-18
Release date:2000-10-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of an allosteric anion-binding site on O-acetylserine sulfhydrylase: structure of the enzyme with chloride bound.
J.Mol.Biol., 303, 2000
6Y0Z
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BU of 6y0z by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
5MI4
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BU of 5mi4 by Molmil
BtGH84 mutant with covalent modification by MA3
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017

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