4Q9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9y by Molmil](/molmil-images/mine/4q9y) | |
4QOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qom by Molmil](/molmil-images/mine/4qom) | Bacillus pumilus catalase with pyrogallol bound | 分子名称: | BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ... | 著者 | Loewen, P.C. | 登録日 | 2014-06-20 | 公開日 | 2015-02-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy. Proteins, 83, 2015
|
|
3PN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pn7 by Molmil](/molmil-images/mine/3pn7) | Visualizing new hinges and a potential major source of compliance in the lever arm of myosin | 分子名称: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | 著者 | Brown, J.H, Senthil-Kumar, V.S, O'Neall-Hennessey, E, Reshetnikova, L, Robinson, H, Nguyen-McCarty, M, Szent-Gyorgyi, A.G, Cohen, C. | 登録日 | 2010-11-18 | 公開日 | 2011-01-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Visualizing key hinges and a potential major source of compliance in the lever arm of myosin. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3EYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eyk by Molmil](/molmil-images/mine/3eyk) | Structure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion | 分子名称: | 2-tert-butylbenzene-1,4-diol, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain | 著者 | Russell, R.J, Kerry, P.S, Stevens, D.J, Steinhauer, D.A, Martin, S.R, Gamblin, S.J, Skehel, J.J. | 登録日 | 2008-10-21 | 公開日 | 2009-01-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
4QQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qqk by Molmil](/molmil-images/mine/4qqk) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS | 分子名称: | (5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine, GLYCEROL, Protein arginine N-methyltransferase 6, ... | 著者 | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-27 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural basis of arginine asymmetrical dimethylation by PRMT6. Biochem. J., 473, 2016
|
|
4I8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i8z by Molmil](/molmil-images/mine/4i8z) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2012-12-04 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
|
|
5G1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g1c by Molmil](/molmil-images/mine/5g1c) | Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395 | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | 登録日 | 2016-03-24 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
|
|
6YPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yps by Molmil](/molmil-images/mine/6yps) | Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine | 分子名称: | 4-oxidanylbenzenecarboximidamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | 登録日 | 2020-04-16 | 公開日 | 2020-12-09 | 最終更新日 | 2020-12-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
4QXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qxu by Molmil](/molmil-images/mine/4qxu) | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | 分子名称: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | 著者 | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | 登録日 | 2014-07-22 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody. Structure, 23, 2015
|
|
8EJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ejn by Molmil](/molmil-images/mine/8ejn) | Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol | 分子名称: | 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | 著者 | Aktar, M.S, de Serrano, V.S, Franzen, S. | 登録日 | 2022-09-17 | 公開日 | 2023-08-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.481 Å) | 主引用文献 | Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B. J.Inorg.Biochem., 247, 2023
|
|
6YH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yh7 by Molmil](/molmil-images/mine/6yh7) | Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
6YH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yh5 by Molmil](/molmil-images/mine/6yh5) | Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | 分子名称: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
6YHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yha by Molmil](/molmil-images/mine/6yha) | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
6YH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yh9 by Molmil](/molmil-images/mine/6yh9) | Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
5N1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n1s by Molmil](/molmil-images/mine/5n1s) | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(1H-Indol-2-yl)-benzenesulfonamide | 分子名称: | 4-(1~{H}-indol-2-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. | 登録日 | 2017-02-06 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms Inorg.Chim.Acta., 470, 2018
|
|
6YH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yh4 by Molmil](/molmil-images/mine/6yh4) | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
6YHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yhc by Molmil](/molmil-images/mine/6yhc) | Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2020-03-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
|
|
7FNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fna by Molmil](/molmil-images/mine/7fna) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A11 from the F2X-Universal Library | 分子名称: | 3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
|
|
8DYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dys by Molmil](/molmil-images/mine/8dys) | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) | 分子名称: | 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ... | 著者 | Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2022-08-05 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A) To Be Published
|
|
8FDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fdk by Molmil](/molmil-images/mine/8fdk) | Phenylhydroxylamine in Reaction with Human Hemoglobin | 分子名称: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | 登録日 | 2022-12-03 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
|
|
4YFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfi by Molmil](/molmil-images/mine/4yfi) | TNNI3K complexed with inhibitor 1 | 分子名称: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | 登録日 | 2015-02-25 | 公開日 | 2015-09-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
|
|
4JMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jma by Molmil](/molmil-images/mine/4jma) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | 分子名称: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Boyce, S.E, Fischer, M, Fish, I. | 登録日 | 2013-03-13 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
|
|
7H37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7h37 by Molmil](/molmil-images/mine/7h37) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z45527714 (A71EV2A-x0332) | 分子名称: | 2-chloro-N-methylbenzene-1-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
|
|
7LOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lob by Molmil](/molmil-images/mine/7lob) | T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene | 分子名称: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-09 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6UTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6utr by Molmil](/molmil-images/mine/6utr) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with copper | 分子名称: | ATP-dependent sacrificial sulfur transferase LarE, COPPER (II) ION, PHOSPHATE ION, ... | 著者 | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | 登録日 | 2019-10-29 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE. Sci Rep, 10, 2020
|
|