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7O2G
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Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with styrene
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Rotilio, L, Mattevi, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
7NPI
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BU of 7npi by Molmil
Crystal structure of Mindy2 (C266A) in complex with Lys48-linked penta-ubiquitin (K48-Ub5)
分子名称: CHLORIDE ION, Polyubiquitin-C, SODIUM ION, ...
著者Lange, S.M, Armstrong, L.A, Kulathu, Y.
登録日2021-02-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
5VU5
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TNA polymerase, apo
分子名称: DNA polymerase
著者Chim, N, Chaput, J.C.
登録日2017-05-18
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for TNA synthesis by an engineered TNA polymerase.
Nat Commun, 8, 2017
7Q6T
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BU of 7q6t by Molmil
Crystal structure of the bromodomain of ATAD2 with AZ13824374
分子名称: (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
6NLT
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BU of 6nlt by Molmil
Apo structure of the T130K mutant of ANT-4
分子名称: CALCIUM ION, Kanamycin nucleotidyltransferase
著者Selvaraj, B, Cuneo, M.J.
登録日2019-01-09
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction
To be published
5FJD
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BU of 5fjd by Molmil
APO-CSP1 (COPPER STORAGE PROTEIN 1) FROM METHYLOSINUS TRICHOSPORIUM OB3B
分子名称: COPPER STORAGE PROTEIN 1
著者Vita, N, Platsaki, S, Basle, A, Allen, S.J, Paterson, N.G, Crombie, A.T, Murrell, J.C, Waldron, K.J, Dennison, C.
登録日2015-10-07
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Four-Helix Bundle Stores Copper for Methane Oxidation.
Nature, 525, 2015
6NLZ
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
分子名称: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-10
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
To Be Published
5VF1
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X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
分子名称: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-GLU-ALA-PHE-MEA-VAL-LEU-LYS
著者Chen, K.H, Corro, K.A, Le, S.P, Nowick, J.S.
登録日2017-04-06
公開日2017-06-21
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic beta-Sheet Containing A beta 16-22.
J. Am. Chem. Soc., 139, 2017
8RMW
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BU of 8rmw by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-09
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
5D5Z
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BU of 5d5z by Molmil
Structure of Chaetomium thermophilum Skn7 coiled-coil domain, crystal form II
分子名称: Putative transcription factor
著者Neudegger, T, Verghese, J, Hayer-Hartl, M, Bracher, A, Hartl, F.U.
登録日2015-08-11
公開日2015-12-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
5FF8
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BU of 5ff8 by Molmil
TDG enzyme-product complex
分子名称: DNA, G/T mismatch-specific thymine DNA glycosylase
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-12-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
7Q6W
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BU of 7q6w by Molmil
Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)
分子名称: (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
8PUO
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BU of 8puo by Molmil
Structural determinants of cold-activity and glucose tolerance of a family 1 glycoside hydrolase (GH1) from Antarctic Marinomonas Ef 1
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase
著者Gourlay, L.J, Nardini, M.
登録日2023-07-17
公開日2024-03-06
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural determinants of cold activity and glucose tolerance of a family 1 glycoside hydrolase (GH1) from Antarctic Marinomonas sp. ef1.
Febs J., 291, 2024
5FSD
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BU of 5fsd by Molmil
1.75 A resolution 2,5-dihydroxybenzensulfonate inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, 2,5-dihydroxybenzenesulfonic acid, HYDROXIDE ION, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2016-01-04
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface.
Dalton Trans, 45, 2016
8A56
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BU of 8a56 by Molmil
Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis
分子名称: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ...
著者Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A.
登録日2022-06-14
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis.
Antioxidants, 11, 2022
7Q6U
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BU of 7q6u by Molmil
Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6)
分子名称: (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
5FUY
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BU of 5fuy by Molmil
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP
分子名称: PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ...
著者Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2016-01-31
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
6NN0
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BU of 6nn0 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-14
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D
To Be Published
7O06
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BU of 7o06 by Molmil
Crystal structure of the N-terminal domain of CEP164(1-109) bound to camelid nanobody 10Z
分子名称: Camelid nanobody 10Z, Centrosomal protein of 164 kDa, SULFATE ION
著者e Silva, I.R, van Breugel, M.
登録日2021-03-25
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies.
Structure, 30, 2022
7Q6V
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BU of 7q6v by Molmil
Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14)
分子名称: (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Patel, S.J, Winter-Holt, J.J.
登録日2021-11-09
公開日2022-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
5FYD
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BU of 5fyd by Molmil
Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity
分子名称: GLYCEROL, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Savino, S, Ferrandi, E, Forneris, F, Rovida, S, Riva, S, Monti, D, Mattevi, A.
登録日2016-03-07
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Insights Into 7Beta-Hydroxysteroid Dehydrogenase Stereoselectivity.
Proteins, 84, 2016
8VTP
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BU of 8vtp by Molmil
Structure of FabS1CE-EPR-1, a high affinity antibody for the erythropoeitin receptor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S.
登録日2024-01-26
公開日2024-07-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8A5L
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BU of 8a5l by Molmil
TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ
分子名称: 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7
著者Luptak, J.
登録日2022-06-15
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
6NNH
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Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B.
登録日2019-01-15
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019

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