2J6P
 
 | | STRUCTURE OF AS-SB REDUCTASE FROM LEISHMANIA MAJOR | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SB(V)-AS(V) REDUCTASE, ... | | 著者 | Bisacchi, D, Zhou, Y, Rosen, B.P, Mukhopadhyay, R, Bordo, D. | | 登録日 | 2006-10-02 | | 公開日 | 2007-10-02 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural characterization of the As/Sb reductase LmACR2 from Leishmania major.
J. Mol. Biol., 386, 2009
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2J8F
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6MGG
 | | Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA | | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, MAGNESIUM ION, ... | | 著者 | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-09-13 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Succinyl-CoA synthase from Francisella tularensis
to be published
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8DBZ
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4QMP
 | | MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | | 分子名称: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase 24 | | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2014-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QMX
 | | MST3 in complex with SARACATINIB | | 分子名称: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, SERINE/THREONINE-PROTEIN KINASE 24 | | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2014-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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2IXU
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3OCH
 | | Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic | | 分子名称: | (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ... | | 著者 | Cody, V. | | 登録日 | 2010-08-10 | | 公開日 | 2010-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic.
J.Am.Chem.Soc., 132, 2010
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4QMM
 | | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ... | | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2014-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.852 Å) | | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QMW
 | | MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, ... | | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2014-06-16 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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2J7E
 | | Beta-glucosidase from Thermotoga maritima in complex with methyl acetate-substituted glucoimidazole | | 分子名称: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | 著者 | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | 登録日 | 2006-10-07 | | 公開日 | 2006-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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1WMD
 | | Crystal Structure of alkaline serine protease KP-43 from Bacillus sp. KSM-KP43 (1.30 angstrom, 100 K) | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, GLYCEROL, ... | | 著者 | Nonaka, T, Fujihashi, M, Kita, A, Saeki, K, Ito, S, Horikoshi, K, Miki, K. | | 登録日 | 2004-07-08 | | 公開日 | 2004-09-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain
J.Biol.Chem., 279, 2004
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1WMT
 | | Scorpion toxin (IsTX) from Opisthacanthus madagascariensis | | 分子名称: | IsTX | | 著者 | Yamaji, N, Dai, L, Sugase, K, Andriantsiferana, M, Nakajima, T, Iwashita, T. | | 登録日 | 2004-07-20 | | 公開日 | 2004-10-19 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of IsTX: A male scorpion toxin from Opisthacanthus madagascariensis (Ischnuridae)
Eur.J.Biochem., 271, 2004
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6MPQ
 | | 1.95 Ang crystal structure of OXA-24/40 beta-lactamase in complex the inhibitor ETX2514 | | 分子名称: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, Beta-lactamase, CHLORIDE ION | | 著者 | van den Akker, F, Kumar, V. | | 登録日 | 2018-10-08 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Targeting Multidrug-ResistantAcinetobacterspp.: Sulbactam and the Diazabicyclooctenone beta-Lactamase Inhibitor ETX2514 as a Novel Therapeutic Agent.
MBio, 10, 2019
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8DHL
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8DHV
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8DL9
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7F65
 | | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | | 分子名称: | BENZOIC ACID, Cocaine esterase, SULFATE ION | | 著者 | Ouyang, P.F, Zhang, Y, Tong, J. | | 登録日 | 2021-06-24 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8DLB
 | | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | | 分子名称: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | | 著者 | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | | 登録日 | 2022-07-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
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8DMD
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8DHW
 | | Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate | | 分子名称: | 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | | 著者 | Lietzan, A.D, Redinbo, M.R. | | 登録日 | 2022-06-28 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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2IT4
 | | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | | 分子名称: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | | 著者 | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | | 登録日 | 2006-10-19 | | 公開日 | 2007-09-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
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8DHE
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2IXV
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6MXC
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