8BS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bs2 by Molmil](/molmil-images/mine/8bs2) | Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | 登録日 | 2022-11-24 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
|
|
5E2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e2o by Molmil](/molmil-images/mine/5e2o) | |
6IAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iap by Molmil](/molmil-images/mine/6iap) | |
5XB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xb2 by Molmil](/molmil-images/mine/5xb2) | ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ... | 著者 | Biswas, A, Jeyakanthan, J, Sekar, K. | 登録日 | 2017-03-15 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.161 Å) | 主引用文献 | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
|
|
1A4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a4t by Molmil](/molmil-images/mine/1a4t) | SOLUTION STRUCTURE OF PHAGE P22 N PEPTIDE-BOX B RNA COMPLEX, NMR, 20 STRUCTURES | 分子名称: | 20-MER BASIC PEPTIDE, BOXB RNA | 著者 | Cai, Z, Gorin, A.A, Frederick, R, Ye, X, Hu, W, Majumdar, A, Kettani, A, Patel, D.J. | 登録日 | 1998-02-04 | 公開日 | 1998-04-29 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of P22 transcriptional antitermination N peptide-boxB RNA complex. Nat.Struct.Biol., 5, 1998
|
|
8BRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8brh by Molmil](/molmil-images/mine/8brh) | |
6I8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i8c by Molmil](/molmil-images/mine/6i8c) | Crystal structure of the murine beta-2-microglobulin. | 分子名称: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | 著者 | Achour, A, Sandalova, T, Ricagno, S, Sun, R. | 登録日 | 2018-11-20 | 公開日 | 2019-10-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity. Febs J., 287, 2020
|
|
6ZZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zzw by Molmil](/molmil-images/mine/6zzw) | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | 分子名称: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | 著者 | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | 登録日 | 2020-08-05 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*. Chemistry, 27, 2021
|
|
6ZVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zvf by Molmil](/molmil-images/mine/6zvf) | |
4X3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x3b by Molmil](/molmil-images/mine/4x3b) | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | 登録日 | 2014-11-28 | 公開日 | 2015-06-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering. Sci Rep, 5, 2015
|
|
4Q08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q08 by Molmil](/molmil-images/mine/4q08) | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-04-01 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
4PVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pvf by Molmil](/molmil-images/mine/4pvf) | Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ... | 著者 | Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F. | 登録日 | 2014-03-17 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. Febs J., 282, 2015
|
|
4Q0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q0l by Molmil](/molmil-images/mine/4q0l) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-04-02 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
4PZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pzh by Molmil](/molmil-images/mine/4pzh) | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-03-31 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
5KU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ku6 by Molmil](/molmil-images/mine/5ku6) | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | 分子名称: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | 著者 | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | 登録日 | 2016-07-12 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
|
|
5X7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x7v by Molmil](/molmil-images/mine/5x7v) | |
6XM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xm3 by Molmil](/molmil-images/mine/6xm3) | Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | 登録日 | 2020-06-29 | 公開日 | 2020-08-12 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
|
|
5XMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xmq by Molmil](/molmil-images/mine/5xmq) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011 | 分子名称: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
|
|
4PYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pyx by Molmil](/molmil-images/mine/4pyx) | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-03-28 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
4Q09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q09 by Molmil](/molmil-images/mine/4q09) | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-04-01 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
6XZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xz2 by Molmil](/molmil-images/mine/6xz2) | |
8CGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cgc by Molmil](/molmil-images/mine/8cgc) | Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | 分子名称: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | 著者 | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | 登録日 | 2023-02-03 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.925 Å) | 主引用文献 | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form. J.Med.Chem., 66, 2023
|
|
4WIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wiq by Molmil](/molmil-images/mine/4wiq) | The structure of Murine alpha-Dystroglycan T190M mutant N-terminal domain. | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Dystroglycan | 著者 | Brancaccio, A, Lamba, D, Cassetta, A, Bozzi, M, Covaceuszach, S, Sciandra, F, Bigotti, M.G. | 登録日 | 2014-09-26 | 公開日 | 2015-05-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | The Structure of the T190M Mutant of Murine alpha-Dystroglycan at High Resolution: Insight into the Molecular Basis of a Primary Dystroglycanopathy. Plos One, 10, 2015
|
|
6IAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ias by Molmil](/molmil-images/mine/6ias) | |
6I4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i4r by Molmil](/molmil-images/mine/6i4r) | Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | 著者 | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2018-11-10 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.439 Å) | 主引用文献 | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
|
|