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7MK8
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BU of 7mk8 by Molmil
Crystal structure of a surface mutant of human fetal-specific CYP3A7 bound to dithiothreitol
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Isoform 2 of Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F.
Deposit date:2021-04-21
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for the Diminished Ligand Binding and Catalytic Ability of Human Fetal-Specific CYP3A7.
Int J Mol Sci, 22, 2021
8ERS
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BU of 8ers by Molmil
PanDDA analysis -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398507 - (R,S) isomer
Descriptor: (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
5JGJ
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BU of 5jgj by Molmil
Crystal structure of GtmA
Descriptor: UbiE/COQ5 family methyltransferase, putative
Authors:Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
Deposit date:2016-04-20
Release date:2017-03-01
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
6BO1
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BU of 6bo1 by Molmil
Mono-adduct formed after 3 days in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL
Descriptor: Lysozyme C, SODIUM ION, dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2017-11-17
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Chem. Commun. (Camb.), 54, 2018
2A26
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BU of 2a26 by Molmil
Crystal structure of the N-terminal, dimerization domain of Siah Interacting Protein
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Calcyclin-binding protein, SULFATE ION
Authors:Santelli, E, Leone, M, Li, C, Fukushima, T, Preece, N.E, Olson, A.J, Ely, K.R, Reed, J.C, Pellecchia, M, Liddington, R.C, Matsuzawa, S.
Deposit date:2005-06-21
Release date:2005-08-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex
J.Biol.Chem., 280, 2005
2F4W
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BU of 2f4w by Molmil
Human ubiquitin-conjugating enzyme E2 J2
Descriptor: ubiquitin-conjugating enzyme E2, J2
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-11-24
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
5LFC
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BU of 5lfc by Molmil
Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M
Descriptor: CALCIUM ION, DsrV, GLYCEROL
Authors:Claverie, M, Cioci, G, Remaud-simeon, M, Moulis, C, Tranier, S.
Deposit date:2016-07-01
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Investigations on the Determinants Responsible for Low Molar Mass Dextran Formation by DSR-M Dextransucrase
Acs Catalysis, 7, 2017
8TWH
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BU of 8twh by Molmil
Crystal structure of (GGGTT)3GGG G-quadruplex in complex with small molecule ligand RHPS4
Descriptor: (GGGTT)3GGG DNA, 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, POTASSIUM ION
Authors:Yatsunyk, L.A, Martin, K.N, Lam, G.
Deposit date:2023-08-21
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of (GGGTT)3GGG G-quadruplex in complex with small molecule ligand RHPS4
To be published
5XRG
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BU of 5xrg by Molmil
Galectin-10/Charcot-Leyden crystal protein crystal structure
Descriptor: GLYCEROL, Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRK
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BU of 5xrk by Molmil
Galectin-10/Charcot-Leyden crystal protein variant C57A crystal structure
Descriptor: GLYCEROL, Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
8RS5
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BU of 8rs5 by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 4
Descriptor: CHLORIDE ION, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Coquille, S, Engilberge, S, Madern, D.
Deposit date:2024-01-24
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
8RWL
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BU of 8rwl by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1
Descriptor: CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ...
Authors:Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D.
Deposit date:2024-02-05
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
8T8T
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BU of 8t8t by Molmil
Crystal structure of TET25 in complex with PyDH2 ligand in P212121 space group
Descriptor: 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium), POTASSIUM ION, TET25
Authors:Lam, G, Yatsunyk, L.A.
Deposit date:2023-06-23
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of TET25 in complex with PyDH2 ligand in P212121 space group
To be Published
6IK8
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BU of 6ik8 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
6A1D
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BU of 6a1d by Molmil
Crystal structure of a synthase 1 from Santalum album in complex with ligand
Descriptor: MAGNESIUM ION, SULFATE ION, Sesquisabinene B synthase 1, ...
Authors:Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-06-07
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
6RHQ
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BU of 6rhq by Molmil
Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus
Descriptor: COPPER (II) ION, GLYCEROL, SULFATE ION, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2019-04-22
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
5XRP
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BU of 5xrp by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q75A
Descriptor: GLYCEROL, Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
6IK5
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BU of 6ik5 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with galactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
5EJE
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BU of 5eje by Molmil
Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION
Authors:Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2015-11-01
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for ligand binding to an enzyme by a conformational selection pathway.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6A3X
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BU of 6a3x by Molmil
Crystal structure of a synthase 1 from Santalum album in complex with ligand s
Descriptor: SULFATE ION, Sabinene, Sesquisabinene B synthase 1
Authors:Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-06-18
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a synthase 1 from Santalum album in complex with ligand s
To Be Published
6IK7
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BU of 6ik7 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,3-galactobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
6RH9
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BU of 6rh9 by Molmil
Crystal Structure of Two-Domain Laccase mutant I170F from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2019-04-19
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
1WQU
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BU of 1wqu by Molmil
Solution structure of the human FES SH2 domain
Descriptor: Proto-oncogene tyrosine-protein kinase FES/FPS
Authors:Scott, A, Pantoja-Uceda, D, Koshiba, S, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Tanaka, A, Sugano, S, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-10-02
Release date:2005-06-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Src homology 2 domain from the human feline sarcoma oncogene Fes
J.Biomol.NMR, 31, 2005
5XRH
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BU of 5xrh by Molmil
Galectin-10/Charcot-Leyden crystal protein crystal structure
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRN
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BU of 5xrn by Molmil
Galectin-10/Charcot-Leyden crystal protein variant K73A crystal structure
Descriptor: GLYCEROL, Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018

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