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8BM5
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BU of 8bm5 by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-10
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
5LTI
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BU of 5lti by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, NITRIC OXIDE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
1APF
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BU of 1apf by Molmil
ANTHOPLEURIN-B, NMR, 20 STRUCTURES
Descriptor: ANTHOPLEURIN-B
Authors:Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S.
Deposit date:1995-05-30
Release date:1996-07-11
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A.
Structure, 3, 1995
5M0P
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BU of 5m0p by Molmil
Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ...
Authors:Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
5M0X
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BU of 5m0x by Molmil
Structure of apo structure of GH36 alpha-galactosidase from Thermotoga maritima
Descriptor: Alpha-galactosidase, MAGNESIUM ION, SULFATE ION
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
6AY0
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BU of 6ay0 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide
Descriptor: COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-09-07
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
5VA9
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BU of 5va9 by Molmil
Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2017-03-24
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
8FF8
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BU of 8ff8 by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE
Descriptor: 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Muckelbauer, J.K, Lewis, H.A.
Deposit date:2022-12-08
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.
J.Med.Chem., 66, 2023
4GZD
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BU of 4gzd by Molmil
Crystal structure of yeast Ent2 ENTH domain triple mutant N112D,S114E, E118Q
Descriptor: CHLORIDE ION, Epsin-2, ISOPROPYL ALCOHOL
Authors:Costakes, G.T, Stauffacher, C.V.
Deposit date:2012-09-06
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic analysis of the ENTH domain from yeast epsin Ent2 that induces a cell division phenotype.
Protein Sci., 22, 2013
5LUP
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BU of 5lup by Molmil
Structures of DHBN domain of human BLM helicase
Descriptor: BLM protein, PHOSPHATE ION, POTASSIUM ION
Authors:Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G.
Deposit date:2016-09-09
Release date:2017-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
5LV3
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BU of 5lv3 by Molmil
Crystal structure of mouse CARM1 in complex with ligand LH1561Br
Descriptor: 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*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 (2.59 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
1KAC
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BU of 1kac by Molmil
KNOB DOMAIN FROM ADENOVIRUS SEROTYPE 12 IN COMPLEX WITH DOMAIN 1 OF ITS CELLULAR RECEPTOR CAR
Descriptor: PROTEIN (COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR), PROTEIN (FIBER KNOB PROTEIN)
Authors:Bewley, M.C, Springer, K, Zhang, Y.B, Freimuth, P, Flanagan, J.M.
Deposit date:1999-05-05
Release date:1999-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of the mechanism of adenovirus binding to its human cellular receptor, CAR.
Science, 286, 1999
8F28
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BU of 8f28 by Molmil
Lysozyme Structures from Single-Entity Crystallization Method NanoAC
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Yang, R, Sankaran, B, Ogbonna, E, Wang, G.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
4H5B
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BU of 4h5b by Molmil
Crystal Structure of DR_1245 from Deinococcus radiodurans
Descriptor: BROMIDE ION, DR_1245 protein, GLYCEROL, ...
Authors:Norais, C, Servant, P, Bouthier-de-la-Tour, C, Coureux, P.D, Ithurbide, S, Vannier, F, Guerin, P, Dulberger, C.L, Satyshur, K.A, Keck, J.L, Armengaud, J, Cox, M.M, Sommer, S.
Deposit date:2012-09-18
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Deinococcus radiodurans DR1245 Protein, a DdrB Partner Homologous to YbjN Proteins and Reminiscent of Type III Secretion System Chaperones.
Plos One, 8, 2013
8BNU
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BU of 8bnu by Molmil
Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) tetrameric complex
Descriptor: 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha
Authors:Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R.
Deposit date:2022-11-14
Release date:2023-05-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes.
Structure, 31, 2023
8BRT
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BU of 8brt by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
1VC4
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BU of 1vc4 by Molmil
Crystal Structure of Indole-3-Glycerol Phosphate Synthase (TrpC) from Thermus Thermophilus At 1.8 A Resolution
Descriptor: ACETIC ACID, GLYCEROL, Indole-3-Glycerol Phosphate Synthase, ...
Authors:Bagautdinov, B, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-04
Release date:2004-03-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of indole-3-glycerol phosphate synthase from Thermus thermophilus HB8: implications for thermal stability.
Acta Crystallogr.,Sect.D, 67, 2011
8BRJ
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BU of 8brj by Molmil
Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) trimeric complex
Descriptor: 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha
Authors:Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R.
Deposit date:2022-11-23
Release date:2023-05-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes.
Structure, 31, 2023
5LFU
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BU of 5lfu by Molmil
Myelin-associated glycoprotein (MAG) glycosylated and lysine-methylated full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Myelin-associated glycoprotein, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-07-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
5TDF
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BU of 5tdf by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to 4S hydroxycitrate
Descriptor: 3-C-carboxy-2-deoxy-D-erythro-pentaric acid, ADENINE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
4H1I
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BU of 4h1i by Molmil
Structure of human thymidylate synthase at low salt conditions
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Brunn, N, Dibrov, S, Hermann, T.
Deposit date:2012-09-10
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.095 Å)
Cite:Analysis of mRNA recognition by human thymidylate synthase.
Biosci.Rep., 34, 2014
8BRS
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BU of 8brs by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact.
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BSC
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BU of 8bsc by Molmil
CryoEM structure of the RAD51 nucleoprotein filament in the presence of ADP and Ca2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, DNA repair protein RAD51 homolog 1
Authors:Appleby, R, Bollschweiler, D, Pellegrini, L.
Deposit date:2022-11-24
Release date:2023-05-03
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
8BQ2
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BU of 8bq2 by Molmil
CryoEM structure of the pre-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ...
Authors:Appleby, R, Bollschweiler, D, Pellegrini, L.
Deposit date:2022-11-18
Release date:2023-05-03
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023

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