1MKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mkw by Molmil](/molmil-images/mine/1mkw) | |
1MKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mkx by Molmil](/molmil-images/mine/1mkx) | |
4FO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fo1 by Molmil](/molmil-images/mine/4fo1) | Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, apo | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lincosamide resistance protein | 著者 | Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Kudritska, M, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-06-20 | 公開日 | 2012-07-04 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, apo TO BE PUBLISHED
|
|
6DMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dmg by Molmil](/molmil-images/mine/6dmg) | A multiconformer ligand model of EK6 bound to ERK2 | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | 著者 | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
|
|
2XN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xn0 by Molmil](/molmil-images/mine/2xn0) | Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM, PtCl4 derivative | 分子名称: | ALPHA-GALACTOSIDASE, GLYCEROL, PLATINUM (II) ION | 著者 | Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B. | 登録日 | 2010-07-30 | 公開日 | 2011-08-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding. J.Mol.Biol., 412, 2011
|
|
6QVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qvd by Molmil](/molmil-images/mine/6qvd) | |
8RCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rco by Molmil](/molmil-images/mine/8rco) | Structure of Human Serum Albumin in complex with Aristolochic Acid II at 1.9 A resolution | 分子名称: | 1,2-ETHANEDIOL, 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ... | 著者 | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | 登録日 | 2023-12-06 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin. J.Biol.Chem., 300, 2024
|
|
8RCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rcp by Molmil](/molmil-images/mine/8rcp) | Structure of Human Serum Albumin in complex with Myristic Acid | 分子名称: | 1,2-ETHANEDIOL, MYRISTIC ACID, Serum albumin | 著者 | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | 登録日 | 2023-12-06 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin. J.Biol.Chem., 300, 2024
|
|
4FHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fhk by Molmil](/molmil-images/mine/4fhk) | Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | 分子名称: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Shaffer, P.L, Tang, J, Yakowec, P. | 登録日 | 2012-06-06 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
1MRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mrr by Molmil](/molmil-images/mine/1mrr) | |
8S3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s3r by Molmil](/molmil-images/mine/8s3r) | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | 分子名称: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | 登録日 | 2024-02-20 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 2024
|
|
8SWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swv by Molmil](/molmil-images/mine/8swv) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody IF1 | 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, IF1 Heavy Chain, ... | 著者 | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | 登録日 | 2023-05-19 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Focusing antibody responses to the fusion peptide in rhesus macaques To Be Published
|
|
6QV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qv6 by Molmil](/molmil-images/mine/6qv6) | |
6QVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qvb by Molmil](/molmil-images/mine/6qvb) | |
4FCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fcp by Molmil](/molmil-images/mine/4fcp) | Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | 分子名称: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | 著者 | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | 登録日 | 2012-05-25 | 公開日 | 2012-10-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
|
|
2YM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ym7 by Molmil](/molmil-images/mine/2ym7) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
|
|
2YOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yoo by Molmil](/molmil-images/mine/2yoo) | Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... | 著者 | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | 登録日 | 2012-10-25 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
|
|
5KOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5koj by Molmil](/molmil-images/mine/5koj) | Nitrogenase MoFeP protein in the IDS oxidized state | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | 著者 | Owens, C.P, Tezcan, F.A. | 登録日 | 2016-06-30 | 公開日 | 2016-09-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.592 Å) | 主引用文献 | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer. J.Am.Chem.Soc., 138, 2016
|
|
5KWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kww by Molmil](/molmil-images/mine/5kww) | Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... | 著者 | McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2016-07-19 | 公開日 | 2017-08-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun, 8, 2017
|
|
8SW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sw7 by Molmil](/molmil-images/mine/8sw7) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 Boost 2 gp120, BG505 Boost 2 gp41, ... | 著者 | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | 登録日 | 2023-05-17 | 公開日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Focusing antibody responses to the fusion peptide in rhesus macaques. Biorxiv, 2023
|
|
5EA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ea6 by Molmil](/molmil-images/mine/5ea6) | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
|
|
6QVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qvu by Molmil](/molmil-images/mine/6qvu) | |
3TSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tss by Molmil](/molmil-images/mine/3tss) | TOXIC SHOCK SYNDROME TOXIN-1 TETRAMUTANT, P2(1) CRYSTAL FORM | 分子名称: | TOXIC SHOCK SYNDROME TOXIN-1 | 著者 | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | 登録日 | 1996-12-11 | 公開日 | 1997-12-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
|
|
6DA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6da1 by Molmil](/molmil-images/mine/6da1) | ETS1 in complex with synthetic SRR mimic | 分子名称: | Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide | 著者 | Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P. | 登録日 | 2018-05-01 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.000127 Å) | 主引用文献 | The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor. J. Mol. Biol., 431, 2019
|
|
9BCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bcz by Molmil](/molmil-images/mine/9bcz) | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-10 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine To be published
|
|