6CZ4
 
 | | Structure of the PTK6 kinase domain bound to a type II inhibitor 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | | 分子名称: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, Protein-tyrosine kinase 6 | | 著者 | Gajiwala, K.S, Johnson, E, Cronin, C.N. | | 登録日 | 2018-04-07 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers.
PLoS ONE, 13, 2018
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6D18
 | | Crystal structure of KPC-2 complexed with compound 6 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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3MLB
 | | BaNadD in complex with inhibitor 1_02_1 | | 分子名称: | 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide], FORMIC ACID, POTASSIUM ION, ... | | 著者 | Huang, N, Zhang, H, Eyobo, Y. | | 登録日 | 2010-04-16 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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5F3A
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8PFX
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(D-p-FPhF)(CO3)3] in condition B | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, FORMIC ACID, ... | | 著者 | Teran, A, Ferraro, G, Merlino, A. | | 登録日 | 2023-06-16 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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4N3T
 | | Candida albicans Superoxide Dismutase 5 (SOD5), Cu(I) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (I) ION, Potential secreted Cu/Zn superoxide dismutase, ... | | 著者 | Galaleldeen, A, Taylor, A.B, Waninger-Saroni, J.J, Holloway, S.P, Hart, P.J. | | 登録日 | 2013-10-07 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Candida albicans SOD5 represents the prototype of an unprecedented class of Cu-only superoxide dismutases required for pathogen defense.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3MQD
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3UN8
 | | Yeast 20S proteasome in complex with PR-957 (epoxide) | | 分子名称: | 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol, Proteasome component C1, Proteasome component C11, ... | | 著者 | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | | 登録日 | 2011-11-15 | | 公開日 | 2012-02-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
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3EJR
 | | Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A, Shea, K, Rose, D.R. | | 登録日 | 2008-09-18 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
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8I07
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3EL8
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8I01
 | | Crystal structure of Escherichia coli glyoxylate carboligase | | 分子名称: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | 著者 | Kim, J.H, Kim, J.S. | | 登録日 | 2023-01-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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8I08
 | | Crystal structure of Escherichia coli glyoxylate carboligase quadruple mutant | | 分子名称: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | 著者 | Kim, J.H, Kim, J.S. | | 登録日 | 2023-01-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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5EZG
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | | 著者 | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | 登録日 | 2015-11-26 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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8I05
 | | Crystal structure of Escherichia coli glyoxylate carboligase double mutant | | 分子名称: | 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | 著者 | Kim, J.H, Kim, J.S. | | 登録日 | 2023-01-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
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7A5X
 | | Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group. | | 分子名称: | (4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Bridot, C, Bouckaert, J. | | 登録日 | 2020-08-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Polyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*.
Chemistry, 27, 2021
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1LZC
 | | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | | 分子名称: | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME | | 著者 | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | | 登録日 | 1995-02-10 | | 公開日 | 1995-05-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity.
J.Mol.Biol., 247, 1995
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5EXP
 | | AAA+ domain of FleQ from Pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Transcriptional regulator FleQ | | 著者 | Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.Y. | | 登録日 | 2015-11-24 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3V0H
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Voltage-sensor containing phosphatase | | 著者 | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | 登録日 | 2011-12-08 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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3EF8
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3ELM
 | | Crystal Structure of MMP-13 Complexed with Inhibitor 24f | | 分子名称: | (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ... | | 著者 | Kulathila, R, Monovich, L, Koehn, J. | | 登録日 | 2008-09-22 | | 公開日 | 2009-07-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
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2OR7
 | | Tim-2 | | 分子名称: | ACETATE ION, T-cell immunoglobulin and mucin domain-containing protein 2 | | 著者 | Santiago, C, Ballesteros, A, Kaplan, G.G, Casasnovas, J.M. | | 登録日 | 2007-02-02 | | 公開日 | 2007-04-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structures of T Cell Immunoglobulin Mucin Receptors 1 and 2 Reveal Mechanisms for Regulation of Immune Responses by the TIM Receptor Family.
Immunity, 26, 2007
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6D9M
 | | T4-Lysozyme fusion to Geobacter GGDEF | | 分子名称: | ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ... | | 著者 | Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M. | | 登録日 | 2018-04-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration.
Elife, 8, 2019
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3E4Y
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5F6B
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