6NLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nlq by Molmil](/molmil-images/mine/6nlq) | |
6Q0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q0y by Molmil](/molmil-images/mine/6q0y) | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine | 分子名称: | 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | 著者 | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | 登録日 | 2019-08-02 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine To Be Published
|
|
4YFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfv by Molmil](/molmil-images/mine/4yfv) | X-ray structure of the 4-N-formyltransferase VioF from Providencia alcalifaciens O30 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, VioF | 著者 | Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M. | 登録日 | 2015-02-25 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30. Protein Sci., 24, 2015
|
|
4YG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yg3 by Molmil](/molmil-images/mine/4yg3) | |
5JAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jae by Molmil](/molmil-images/mine/5jae) | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | 分子名称: | Transporter, octyl beta-D-glucopyranoside | 著者 | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | 登録日 | 2016-04-12 | 公開日 | 2016-06-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
|
|
6NOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nos by Molmil](/molmil-images/mine/6nos) | PD-L1 IgV domain V76T with fragment | 分子名称: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1 | 著者 | Zhao, B, Perry, E. | 登録日 | 2019-01-16 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
|
|
4YJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yjm by Molmil](/molmil-images/mine/4yjm) | |
6NSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nse by Molmil](/molmil-images/mine/6nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, CANAVANINE COMPLEX | 分子名称: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | 著者 | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | 登録日 | 1999-01-13 | 公開日 | 2002-05-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
|
|
4YT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yt9 by Molmil](/molmil-images/mine/4yt9) | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. | 分子名称: | GLYCEROL, Peptidylarginine deiminase, SODIUM ION | 著者 | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | 登録日 | 2015-03-17 | 公開日 | 2015-07-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
|
|
6CHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chl by Molmil](/molmil-images/mine/6chl) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6CHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chq by Molmil](/molmil-images/mine/6chq) | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6MJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mjz by Molmil](/molmil-images/mine/6mjz) | Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174 | 分子名称: | Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain | 著者 | Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D. | 登録日 | 2018-09-24 | 公開日 | 2018-11-14 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8V2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v2d by Molmil](/molmil-images/mine/8v2d) | |
6E4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e4x by Molmil](/molmil-images/mine/6e4x) | |
5J0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j0k by Molmil](/molmil-images/mine/5j0k) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | 分子名称: | designed protein 2L4HC2_23 | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | 登録日 | 2016-03-28 | 公開日 | 2016-05-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
|
|
5M8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m8q by Molmil](/molmil-images/mine/5m8q) | Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with kojic acid | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | 登録日 | 2016-10-29 | 公開日 | 2017-07-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6MQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mqm by Molmil](/molmil-images/mine/6mqm) | |
1C9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c9u by Molmil](/molmil-images/mine/1c9u) | CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ | 分子名称: | CALCIUM ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ... | 著者 | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | 登録日 | 1999-08-03 | 公開日 | 2000-02-04 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
|
|
8BDL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bdl by Molmil](/molmil-images/mine/8bdl) | VCB in complex with compound 27 | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
|
|
8BDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bdm by Molmil](/molmil-images/mine/8bdm) | VCB in complex with compound 26 | 分子名称: | (2~{S},4~{R})-~{N}-[[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.021 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
|
|
8V3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v3b by Molmil](/molmil-images/mine/8v3b) | |
6CDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cdi by Molmil](/molmil-images/mine/6cdi) | Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | 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, Glycoprotein 120, ... | 著者 | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | 登録日 | 2018-02-08 | 公開日 | 2018-05-16 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
|
|
8BDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bdi by Molmil](/molmil-images/mine/8bdi) | VCB in complex with compound 32 | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | 登録日 | 2022-10-19 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
|
|
6CHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chn by Molmil](/molmil-images/mine/6chn) | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | 分子名称: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6CCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccm by Molmil](/molmil-images/mine/6ccm) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 分子名称: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|