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6GVY
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BU of 6gvy by Molmil
Mutant M16A of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with an template -primer RNA
分子名称: GLYCEROL, Genome polyprotein, RNA (5'-R(P*CP*CP*GP*GP*G)-3'), ...
著者Verdaguer, N, Ferrer-Orta, C.
登録日2018-06-21
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contribution of a Multifunctional Polymerase Region of Foot-and-Mouth Disease Virus to Lethal Mutagenesis.
J. Virol., 92, 2018
1ONM
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BU of 1onm by Molmil
Solution Structure of a DNA duplex containing A:G mismatch. d(GCTTCAGTCGT):d(ACGACGGAAGC)
分子名称: 5'-D(*AP*CP*GP*AP*CP*GP*GP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*CP*AP*GP*TP*CP*GP*T)-3'
著者Sanchez, A.M, Volk, D.E, Gorenstein, D.G, Lloyd, R.S.
登録日2003-02-28
公開日2003-11-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Initiation of repair of A/G mismatches is modulated by sequence context
DNA REPAIR, 2, 2003
6S5A
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BU of 6s5a by Molmil
CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ...
著者Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C.
登録日2019-07-01
公開日2019-09-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation.
Protein Eng.Des.Sel., 32, 2019
5KJE
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BU of 5kje by Molmil
F322L horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2016-06-18
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis.
Protein Sci., 27, 2018
5KMT
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BU of 5kmt by Molmil
CTX-M9 mutant L48A
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Latallo, M.J, Faham, S, Kasson, P.M.
登録日2016-06-27
公開日2017-08-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Chem Sci, 8, 2017
6RT3
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BU of 6rt3 by Molmil
Native tetragonal lysozyme - synchrotron data
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Pereira, P.J.B.
登録日2019-05-22
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
6GP5
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Beta-1,4-galactanase from Bacteroides thetaiotaomicron
分子名称: Arabinogalactan endo-beta-1,4-galactanase
著者Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L.
登録日2018-06-05
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
J. Struct. Biol., 205, 2019
6TZG
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ADC-7 in complex with boronic acid transition state inhibitor S17083
分子名称: Beta-lactamase, [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
著者Fish, E.R, Powers, R.A, Wallar, B.J.
登録日2019-08-12
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6U4V
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BU of 6u4v by Molmil
Non-crosslinked wild type cysteine dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (III) ION
著者Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
登録日2019-08-26
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
6E65
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BU of 6e65 by Molmil
Crystal structure of malaria transmission-blocking antibody TB31F
分子名称: TB31F Fab heavy chain, TB31F Fab light chain
著者Kundu, P, Semesi, A, Julien, J.P.
登録日2018-07-23
公開日2018-11-28
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6U97
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Structure of OmcF_H47I mutant
分子名称: Lipoprotein cytochrome c, 1 heme-binding site, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Pokkuluri, P.R.
登録日2019-09-06
公開日2020-02-19
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Modulation of the Redox Potential and Electron/Proton Transfer Mechanisms in the Outer Membrane Cytochrome OmcF FromGeobacter sulfurreducens.
Front Microbiol, 10, 2019
6EF6
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BU of 6ef6 by Molmil
Structure of the microcompartment-associated aminopropanol kinase
分子名称: (2R)-1-methoxypropan-2-amine, ACETATE ION, Aminoglycoside phosphotransferase, ...
著者Mallette, E, Kimber, M.S.
登録日2018-08-16
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and kinetic characterization of (S)-1-amino-2-propanol kinase from the aminoacetone utilization microcompartment ofMycobacterium smegmatis.
J.Biol.Chem., 293, 2018
6UFB
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BU of 6ufb by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1)
分子名称: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Peat, T.S.
登録日2019-09-24
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
1OZ9
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BU of 1oz9 by Molmil
Crystal structure of AQ_1354, a hypothetical protein from Aquifex aeolicus
分子名称: Hypothetical protein AQ_1354
著者Oganesyan, V, Busso, D, Brandsen, J, Chen, S, Jancarik, J, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
登録日2003-04-08
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structure of the hypothetical protein AQ_1354 from Aquifex aeolicus.
Acta Crystallogr.,Sect.D, 59, 2003
6EKU
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BU of 6eku by Molmil
Vibrio cholerae neuraminidase complexed with zanamivir
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Schuetz, A, Heinemann, U.
登録日2017-09-27
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
6U7N
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BU of 6u7n by Molmil
Crystal structure of neurotrimin (NTM)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ...
著者Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S.
登録日2019-09-03
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.321 Å)
主引用文献Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
6GPA
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BU of 6gpa by Molmil
Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose
分子名称: Arabinogalactan endo-beta-1,4-galactanase, beta-D-galactopyranose
著者Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L.
登録日2018-06-05
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
J. Struct. Biol., 205, 2019
6H23
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BU of 6h23 by Molmil
Crystal structure of the hClpP Y118A mutant with an activating small molecule
分子名称: 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Kick, L.M, Sieber, S.A, Schneider, S.
登録日2018-07-13
公開日2018-08-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Selective Activation of Human Caseinolytic Protease P (ClpP).
Angew. Chem. Int. Ed. Engl., 57, 2018
1Q78
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BU of 1q78 by Molmil
Crystal structure of poly(A) polymerase in complex with 3'-dATP and magnesium chloride
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Poly(A) polymerase alpha
著者Martin, G, Moglich, A, Keller, W, Doublie, S.
登録日2003-08-16
公開日2004-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical and structural insights into substrate binding and catalytic mechanism of mammalian poly(A) polymerase.
J.Mol.Biol., 341, 2004
1PZI
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BU of 1pzi by Molmil
Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a
分子名称: Heat-labile Enterotoxin B subunit, N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
著者Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
登録日2003-07-11
公開日2004-03-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
1Q79
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CRYSTAL STRUCTURE OF MAMMALIAN POLY(A) POLYMERASE
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Martin, G, Moglich, A, Keller, W, Doublie, S.
登録日2003-08-16
公開日2004-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural insights into substrate binding and catalytic mechanism of mammalian poly(A) polymerase.
J.Mol.Biol., 341, 2004
1Q9B
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BU of 1q9b by Molmil
CRYSTAL STRUCTURE ANALYSIS OF Hev b 6.02 (HEVEIN) AT 1.5 ANGSTROMS RESOLUTION
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Hevein
著者Rodriguez-Romero, A, Hernandez-Santoyo, A.
登録日2003-08-22
公開日2004-01-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into a conformational epitope of Hev b 6.02 (hevein).
Biochem.Biophys.Res.Commun., 314, 2004
1OF1
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BU of 1of1 by Molmil
KINETICS AND CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (SOUTH)-METHANOCARBA-THYMIDINE
分子名称: (SOUTH)-METHANOCARBA-THYMIDINE, SULFATE ION, THYMIDINE KINASE
著者Claus, M.T, Schelling, P, Folkers, G, Marquez, V.E, Scapozza, L, Schulz, G.E.
登録日2003-04-03
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and Structural Characterization of (South)-Methanocarbathymidine that Specifically Inhibits Growth of Herpes Simplex Virus Type 1 Thymidine Kinase-Transduced Osteosarcoma Cells
J.Biol.Chem., 279, 2004
1PWD
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Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
分子名称: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PXX
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CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G.
登録日2003-07-07
公開日2003-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003

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