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4TYV
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BU of 4tyv by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-07-09
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
6JX3
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BU of 6jx3 by Molmil
Lasso peptide synthetase B1 complexed with the leader peptide
Descriptor: TfuA-Leader, TfuB1, ZINC ION
Authors:Sumida, T, Tagami, S.
Deposit date:2019-04-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Leader Peptide Recognition in Lasso Peptide Biosynthesis Pathway.
Acs Chem.Biol., 14, 2019
6QTU
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BU of 6qtu by Molmil
Crystal structure of Arabidopsis WD40 domain in complex with a BBX transcription factor
Descriptor: B-box zinc finger protein 24, E3 ubiquitin-protein ligase COP1, GLYCEROL, ...
Authors:Hothorn, M, Lau, K.
Deposit date:2019-02-25
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Plant photoreceptors and their signaling components compete for COP1 binding via VP peptide motifs.
Embo J., 38, 2019
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
Authors:Liuqing, C, Yan, F.
Deposit date:2019-04-29
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
4UVV
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BU of 4uvv by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one
Descriptor: 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
6K3G
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BU of 6k3g by Molmil
Crystal structure of 10-Hydroxygeraniol Dehydrogenase from Cantharanthus roseus in complex with NADP+
Descriptor: 10-hydroxygeraniol oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
Authors:Sandholu, A.S, Sharmila, P.M, Thulasiram, H.V, Kulkarni, K.A.
Deposit date:2019-05-18
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural studies on 10-hydroxygeraniol dehydrogenase: A novel linear substrate-specific dehydrogenase from Catharanthus roseus.
Proteins, 88, 2020
4TUV
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BU of 4tuv by Molmil
X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 119, PROTOPORPHYRIN IX CONTAINING FE
Authors:Madrona, Y.
Deposit date:2014-06-24
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:NMR and X-ray Analysis of CYP119 Ligand Dependent Conformational Changes.
To Be Published
4U72
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BU of 4u72 by Molmil
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ...
Authors:Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
3QJM
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BU of 3qjm by Molmil
Structural flexibility of Shank PDZ domain is important for its binding to different ligands
Descriptor: Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1
Authors:Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H.
Deposit date:2011-01-30
Release date:2011-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands
Biochem.Biophys.Res.Commun., 407, 2011
8EG0
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BU of 8eg0 by Molmil
CryoEM structure of human METTL1-WDR4 in complex with Lys-tRNA and SAH
Descriptor: RNA (65-MER), S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
Authors:Ruiz-Arroyo, V.M, Nam, Y.
Deposit date:2022-09-10
Release date:2023-01-11
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structures and mechanisms of tRNA methylation by METTL1-WDR4.
Nature, 613, 2023
4TVO
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BU of 4tvo by Molmil
Structure of Malate Dehydrogenase from Mycobacterium tuberculosis
Descriptor: Malate dehydrogenase, SODIUM ION, SULFATE ION
Authors:Ferraris, D.M, Rizzi, M.
Deposit date:2014-06-27
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis.
Proteins, 83, 2015
6JWF
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BU of 6jwf by Molmil
Holo form of Pyranose Dehydrogenase PQQ domain from Coprinopsis cinerea
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Takeda, K, Ishida, T, Yoshida, M, Samejima, M, Ohno, H, Igarashi, K, Nakamura, N.
Deposit date:2019-04-20
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the Catalytic and CytochromebDomains in a Eukaryotic Pyrroloquinoline Quinone-Dependent Dehydrogenase.
Appl.Environ.Microbiol., 85, 2019
4TZ7
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BU of 4tz7 by Molmil
Crystal structure of type I phosphatidylinositol 4-phosphate 5-kinase alpha from Zebrafish
Descriptor: Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha
Authors:Hu, J, Qin, Y, Wang, J, Li, L, Wu, D, Ha, Y.
Deposit date:2014-07-09
Release date:2015-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Resolution of structure of PIP5K1A reveals molecular mechanism for its regulation by dimerization and dishevelled.
Nat Commun, 6, 2015
8DYB
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BU of 8dyb by Molmil
The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coleman, T, Bell, S.G.
Deposit date:2022-08-03
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
6K9O
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BU of 6k9o by Molmil
Crystal Structure Analysis of Protein
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-06-17
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
8E1W
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BU of 8e1w by Molmil
Neutron crystal structure of Panus similis AA9A at room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Meilleur, F, Tandrup, T, Lo Leggio, L.
Deposit date:2022-08-11
Release date:2023-01-11
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION
Cite:Joint X-ray/neutron structure of Lentinus similis AA9_A at room temperature.
Acta Crystallogr.,Sect.F, 79, 2023
6JZ7
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BU of 6jz7 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with N1-substituted uronic isofagomine
Descriptor: (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid, Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
4U9U
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BU of 4u9u by Molmil
Crystal structure of NqrF FAD-binding domain from Vibrio cholerae
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Fritz, G.
Deposit date:2014-08-06
Release date:2014-12-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the V. cholerae Na+-pumping NADH:quinone oxidoreductase.
Nature, 516, 2014
8E73
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BU of 8e73 by Molmil
Vigna radiata supercomplex I+III2 (full bridge)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2022-08-23
Release date:2023-01-11
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Plant-specific features of respiratory supercomplex I + III 2 from Vigna radiata.
Nat.Plants, 9, 2023
4U2S
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BU of 4u2s by Molmil
Cholesterol oxidase in the reduced state complexed with isopropanol
Descriptor: Cholesterol oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E.A, Vrielink, A.
Deposit date:2014-07-18
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.
Acta Crystallogr.,Sect.D, 70, 2014
6QXU
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BU of 6qxu by Molmil
Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one
Descriptor: 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ...
Authors:Musil, D, Lehmann, D, Buchstaller, H.-P.
Deposit date:2019-03-08
Release date:2019-08-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.
J.Med.Chem., 62, 2019
4U3W
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BU of 4u3w by Molmil
X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, 2-aminomuconate 6-semialdehyde dehydrogenase, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-07-23
Release date:2014-07-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9501 Å)
Cite:X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Burkholderia cenocepacia
To Be Published
6KE3
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BU of 6ke3 by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6AAG
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BU of 6aag by Molmil
Crystal structure of budding yeast Atg8 complexed with the helical AIM of Hfl1.
Descriptor: Transmembrane protein 184 homolog YKR051W,Autophagy-related protein 8
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Lipidation-independent vacuolar functions of Atg8 rely on its noncanonical interaction with a vacuole membrane protein
Elife, 7, 2018
4WJQ
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BU of 4wjq by Molmil
Crystal Structure of SUMO1 in complex with Daxx
Descriptor: Daxx, Small ubiquitin-related modifier 1
Authors:Cappadocia, L, Mascle, X.H, Bourdeau, V, Tremblay-Belzile, S, Chaker-Margot, M, Lussier-Price, M, Wada, J, Sakaguchi, K, Aubry, M, Ferbeyre, G, Omichinski, J.G.
Deposit date:2014-10-01
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1.
Structure, 23, 2015

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