6T3D
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![BU of 6t3d by Molmil](/molmil-images/mine/6t3d) | Crystal structure of AmpC from E.coli | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | 登録日 | 2019-10-10 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli . Biomolecules, 10, 2020
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6T7L
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![BU of 6t7l by Molmil](/molmil-images/mine/6t7l) | Crystal structure of AmpC from E.coli with Nacubactam (OP0595) | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | 著者 | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | 登録日 | 2019-10-22 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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6T35
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![BU of 6t35 by Molmil](/molmil-images/mine/6t35) | Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101) | 分子名称: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | 登録日 | 2019-10-10 | 公開日 | 2020-11-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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6T8V
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![BU of 6t8v by Molmil](/molmil-images/mine/6t8v) | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | 分子名称: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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7MI8
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![BU of 7mi8 by Molmil](/molmil-images/mine/7mi8) | Signal subtracted reconstruction of AAA5 and AAA6 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 5 | 分子名称: | Fusion protein of Dynein and Endolysin | 著者 | Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M. | 登録日 | 2021-04-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Targeting allostery in the Dynein motor domain with small molecule inhibitors. Cell Chem Biol, 28, 2021
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7MI3
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![BU of 7mi3 by Molmil](/molmil-images/mine/7mi3) | Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 4 | 分子名称: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, ADENOSINE-5'-TRIPHOSPHATE, Fusion protein of Dynein and Endolysin, ... | 著者 | Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M. | 登録日 | 2021-04-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Targeting allostery in the Dynein motor domain with small molecule inhibitors. Cell Chem Biol, 28, 2021
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5DUA
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7MI6
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![BU of 7mi6 by Molmil](/molmil-images/mine/7mi6) | Yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound, Model 1 | 分子名称: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, ADENOSINE-5'-TRIPHOSPHATE, Fusion protein of Dynein and Endolysin, ... | 著者 | Santarossa, C.C, Urnavicius, L, Coudray, N, Ekeirt, D.C, Bhabha, G, Kapoor, T.M. | 登録日 | 2021-04-16 | 公開日 | 2021-05-26 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Targeting allostery in the Dynein motor domain with small molecule inhibitors. Cell Chem Biol, 28, 2021
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5DW7
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![BU of 5dw7 by Molmil](/molmil-images/mine/5dw7) | Crystal structure of the unliganded geosmin synthase N-terminal domain from Streptomyces coelicolor | 分子名称: | Germacradienol/geosmin synthase | 著者 | Lombardi, P.M, Harris, G.G, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K, Cane, D.E, Christianson, D.W. | 登録日 | 2015-09-22 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | 主引用文献 | Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence. Biochemistry, 54, 2015
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7MI1
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1HZ2
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![BU of 1hz2 by Molmil](/molmil-images/mine/1hz2) | SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'-D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK | 分子名称: | DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE | 著者 | Dooley, P.A, Tsarouhtsis, D, Korbel, G.A, Nechev, L.V, Shearer, J, Zegar, I.S, Harris, C.M, Stone, M.P, Harris, T.M. | 登録日 | 2001-01-23 | 公開日 | 2001-02-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural studies of an oligodeoxynucleotide containing a trimethylene interstrand cross-link in a 5'-(CpG) motif: model of a malondialdehyde cross-link. J.Am.Chem.Soc., 123, 2001
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1HZJ
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![BU of 1hzj by Molmil](/molmil-images/mine/1hzj) | HUMAN UDP-GALACTOSE 4-EPIMERASE: ACCOMMODATION OF UDP-N-ACETYLGLUCOSAMINE WITHIN THE ACTIVE SITE | 分子名称: | CHLORIDE ION, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Thoden, J.B, Wohlers, T.M, Fridovich-Keil, J.L, Holden, H.M. | 登録日 | 2001-01-25 | 公開日 | 2001-05-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Human UDP-galactose 4-epimerase. Accommodation of UDP-N-acetylglucosamine within the active site. J.Biol.Chem., 276, 2001
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5DU9
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![BU of 5du9 by Molmil](/molmil-images/mine/5du9) | First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a | 分子名称: | (2S)-2-amino-N-butyl-propanamide, CDA peptide synthetase I, CHLORIDE ION, ... | 著者 | Bloudoff, K, Alonzo, D.A, Schmeing, T.M. | 登録日 | 2015-09-18 | 公開日 | 2016-03-30 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases. Cell Chem Biol, 23, 2016
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5DS2
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![BU of 5ds2 by Molmil](/molmil-images/mine/5ds2) | Core domain of the class I small heat-shock protein HSP 18.1 from Pisum sativum | 分子名称: | 18.1 kDa class I heat shock protein, SULFATE ION | 著者 | Shepherd, D.A, Laganowsky, A, Allison, T.M, Hochberg, G.K.A, Benesch, J.L.P. | 登録日 | 2015-09-16 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions. Science, 359, 2018
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1HY7
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![BU of 1hy7 by Molmil](/molmil-images/mine/1hy7) | A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 | 分子名称: | CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ... | 著者 | Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E. | 登録日 | 2001-01-18 | 公開日 | 2002-01-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J.Med.Chem., 44, 2001
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7MR1
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7MR0
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7MR3
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![BU of 7mr3 by Molmil](/molmil-images/mine/7mr3) | Cryo-EM structure of RecBCD-DNA complex with docked RecBNuc and stabilized RecD | 分子名称: | DNA (60-MER), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | 著者 | Hao, L, Zhang, R, Lohman, T.M. | 登録日 | 2021-05-07 | 公開日 | 2021-07-28 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting. J.Mol.Biol., 433, 2021
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7MR4
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![BU of 7mr4 by Molmil](/molmil-images/mine/7mr4) | Cryo-EM structure of RecBCD-DNA complex with undocked RecBNuc and flexible RecD | 分子名称: | DNA (60-MER), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | 著者 | Hao, L, Zhang, R, Lohman, T.M. | 登録日 | 2021-05-07 | 公開日 | 2021-07-28 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting. J.Mol.Biol., 433, 2021
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7MR2
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7MQX
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![BU of 7mqx by Molmil](/molmil-images/mine/7mqx) | P. putida mandelate racemase forms an oxobenzoxaborole adduct with 2-formylphenylboronic acid | 分子名称: | (3S)-2,1-benzoxaborole-1,3(3H)-diol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Grandinetti, L, Bearne, S.L, St.Maurice, M. | 登録日 | 2021-05-06 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.914 Å) | 主引用文献 | Slow-Onset, Potent Inhibition of Mandelate Racemase by 2-Formylphenylboronic Acid. An Unexpected Adduct Clasps the Catalytic Machinery. Biochemistry, 2021
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4ZO1
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![BU of 4zo1 by Molmil](/molmil-images/mine/4zo1) | Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ... | 著者 | Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W. | 登録日 | 2015-05-05 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.221 Å) | 主引用文献 | Structural mechanism for signal transduction in RXR nuclear receptor heterodimers. Nat Commun, 6, 2015
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1J79
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![BU of 1j79 by Molmil](/molmil-images/mine/1j79) | Molecular Structure of Dihydroorotase: A Paradigm for Catalysis Through the Use of a Binuclear Metal Center | 分子名称: | N-CARBAMOYL-L-ASPARTATE, OROTIC ACID, ZINC ION, ... | 著者 | Thoden, J.B, Phillips Jr, G.N, Neal, T.M, Raushel, F.M, Holden, H.M. | 登録日 | 2001-05-16 | 公開日 | 2001-06-20 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular structure of dihydroorotase: a paradigm for catalysis through the use of a binuclear metal center. Biochemistry, 40, 2001
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7MLF
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![BU of 7mlf by Molmil](/molmil-images/mine/7mlf) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | 分子名称: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | 著者 | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | 登録日 | 2021-04-28 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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7MLG
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![BU of 7mlg by Molmil](/molmil-images/mine/7mlg) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | 分子名称: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | 著者 | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | 登録日 | 2021-04-28 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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