6GU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu5 by Molmil](/molmil-images/mine/6gu5) | Mosto containing the core POM clusters | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MOLYBDATE ION, Molybdenum storage protein subunit alpha, ... | 著者 | Ermler, U, Poppe, J, Bruenle, S. | 登録日 | 2018-06-19 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump. FEBS J., 285, 2018
|
|
1LR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lr5 by Molmil](/molmil-images/mine/1lr5) | Crystal structure of auxin binding protein | 分子名称: | Auxin binding protein 1, ZINC ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Woo, E.J, Marshall, J, Bauley, J, Chen, J.-G, Venis, M, Napier, R.M, Pickersgill, R.W. | 登録日 | 2002-05-14 | 公開日 | 2002-06-19 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of auxin-binding protein 1 in complex with auxin. EMBO J., 21, 2002
|
|
4FT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ft2 by Molmil](/molmil-images/mine/4ft2) | |
4G5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g5s by Molmil](/molmil-images/mine/4g5s) | Structure of LGN GL3/Galphai3 complex | 分子名称: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | 登録日 | 2012-07-18 | 公開日 | 2012-09-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
|
|
2XBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
|
|
4G73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g73 by Molmil](/molmil-images/mine/4g73) | Crystal structure of NDH with NADH and Quinone | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Li, W, Feng, Y, Ge, J, Yang, M. | 登録日 | 2012-07-19 | 公開日 | 2012-10-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.522 Å) | 主引用文献 | Structural insight into the type-II mitochondrial NADH dehydrogenases. Nature, 491, 2012
|
|
6GRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6grn by Molmil](/molmil-images/mine/6grn) | CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site | 分子名称: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | 著者 | Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J. | 登録日 | 2018-06-11 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A. Chemistry, 24, 2018
|
|
7XKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xka by Molmil](/molmil-images/mine/7xka) | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | 分子名称: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | 著者 | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | 登録日 | 2022-04-19 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
|
|
6GX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gx4 by Molmil](/molmil-images/mine/6gx4) | The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed under in vitro conditions | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, MOLYBDATE ION, ... | 著者 | Poppe, J, Bruenle, S, Hail, R, Ermler, E. | 登録日 | 2018-06-26 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump. FEBS J., 285, 2018
|
|
7XK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | 分子名称: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | 著者 | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | 登録日 | 2022-04-19 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
|
|
4NHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nhz by Molmil](/molmil-images/mine/4nhz) | Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290, with one glutathione bound | 分子名称: | GLUTATHIONE, Putative glutathione S-transferase enzyme with thioredoxin-like domain | 著者 | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-11-05 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Crystal Structure of Glutathione Transferase Bbta-3750 from Bradyrhizobium Sp., Target Efi-507290 To be Published
|
|
6GZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gz8 by Molmil](/molmil-images/mine/6gz8) | First GerMN domain of the sporulation protein GerM from Bacillus subtilis | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, Spore germination protein GerM | 著者 | Trouve, J, Mohamed, A, Leisico, F, Contreras-Martel, C, Liu, B, Mas, C, Rudner, D.Z, Rodrigues, C.D.A, Morlot, C. | 登録日 | 2018-07-03 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural characterization of the sporulation protein GerM from Bacillus subtilis. J. Struct. Biol., 204, 2018
|
|
6E7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e7j by Molmil](/molmil-images/mine/6e7j) | HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand | 分子名称: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-26 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
|
|
4NCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncv by Molmil](/molmil-images/mine/4ncv) | Foldon domain wild type N-conjugate | 分子名称: | Fibritin | 著者 | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | 登録日 | 2013-10-25 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
|
|
2W83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w83 by Molmil](/molmil-images/mine/2w83) | Crystal structure of the ARF6 GTPase in complex with a specific effector, JIP4 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 6, C-JUN-AMINO-TERMINAL KINASE-INTERACTING PROTEIN 4, ... | 著者 | Isabet, T, Montagnac, G, Regazzoni, K, Raynal, B, El Khadali, F, Franco, M, England, P, Chavrier, P, Houdusse, A, Menetrey, J. | 登録日 | 2009-01-08 | 公開日 | 2009-07-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The Structural Basis of Arf Effector Specificity: The Crystal Structure of Arf6 in a Complex with Jip4. Embo J., 28, 2009
|
|
2VOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2voc by Molmil](/molmil-images/mine/2voc) | THIOREDOXIN A ACTIVE SITE MUTANTS FORM MIXED DISULFIDE DIMERS THAT RESEMBLE ENZYME-SUBSTRATE REACTION INTERMEDIATE | 分子名称: | DI(HYDROXYETHYL)ETHER, THIOREDOXIN | 著者 | Kouwen, T.R.H.M, Andrell, J, Schrijver, R, Dubois, J.Y.F, Maher, M.J, Iwata, S, Carpenter, E.P, van Dijl, J.M. | 登録日 | 2008-02-13 | 公開日 | 2009-03-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Thioredoxin A active-site mutants form mixed disulfide dimers that resemble enzyme-substrate reaction intermediates. J. Mol. Biol., 379, 2008
|
|
3U0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u0p by Molmil](/molmil-images/mine/3u0p) | Crystal structure of human CD1d-lysophosphatidylcholine | 分子名称: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ... | 著者 | Lopez-Sagaseta, J, Sibener, L.V, Adams, E.J. | 登録日 | 2011-09-28 | 公開日 | 2012-04-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor. Embo J., 31, 2012
|
|
4IKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ikp by Molmil](/molmil-images/mine/4ikp) | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2012-12-27 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
|
|
3U1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u1y by Molmil](/molmil-images/mine/3u1y) | |
2VTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vte by Molmil](/molmil-images/mine/2vte) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | 分子名称: | N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | 著者 | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | 登録日 | 2008-05-14 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J. Med. Chem., 51, 2008
|
|
6GH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gh9 by Molmil](/molmil-images/mine/6gh9) | USP15 catalytic domain in complex with small molecule | 分子名称: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ... | 著者 | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | 登録日 | 2018-05-06 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel. J. Biol. Chem., 293, 2018
|
|
6GJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gjr by Molmil](/molmil-images/mine/6gjr) | Cyclophilin A complexed with tri-vector ligand 9. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-16 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
|
|
6GJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gjy by Molmil](/molmil-images/mine/6gjy) | Cyclophilin A complexed with tri-vector ligand 5. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-17 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
|
|
4N18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n18 by Molmil](/molmil-images/mine/4n18) | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CITRIC ACID, D-isomer specific 2-hydroxyacid dehydrogenase family protein | 著者 | Bacal, P, Shabalin, I.G, Cooper, D.R, Majorek, K.A, Osinski, T, Hillerich, B.S, Hammonds, J, Nawar, A, Stead, M, Chowdhury, S, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-10-03 | 公開日 | 2013-10-16 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 To be Published
|
|
1L3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l3k by Molmil](/molmil-images/mine/1l3k) | UP1, THE TWO RNA-RECOGNITION MOTIF DOMAIN OF HNRNP A1 | 分子名称: | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN A1 | 著者 | Vitali, J, Ding, J, Jiang, J, Zhang, Y, Krainer, A.R, Xu, R.-M. | 登録日 | 2002-02-27 | 公開日 | 2002-04-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Correlated alternative side chain conformations in the RNA-recognition motif of heterogeneous nuclear ribonucleoprotein A1. Nucleic Acids Res., 30, 2002
|
|