1ZRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zrp by Molmil](/molmil-images/mine/1zrp) | SOLUTION-STATE STRUCTURE BY NMR OF ZINC-SUBSTITUTED RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | Descriptor: | RUBREDOXIN, ZINC ION | Authors: | Blake, P.R, Park, J.B, Zhou, Z.H, Hare, D.R, Adams, M.W.W, Summers, M.F. | Deposit date: | 1992-07-10 | Release date: | 1993-10-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution-state structure by NMR of zinc-substituted rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus. Protein Sci., 1, 1992
|
|
7TXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7txt by Molmil](/molmil-images/mine/7txt) | Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl | Descriptor: | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ... | Authors: | Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G. | Deposit date: | 2022-02-09 | Release date: | 2023-03-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure-based discovery of conformationally selective inhibitors of the serotonin transporter. Cell, 186, 2023
|
|
7LOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7loe by Molmil](/molmil-images/mine/7loe) | T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | Descriptor: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7loa by Molmil](/molmil-images/mine/7loa) | T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene | Descriptor: | 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lof by Molmil](/molmil-images/mine/7lof) | T4 lysozyme mutant L99A in complex with 2-butylthiophene | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7loc by Molmil](/molmil-images/mine/7loc) | T4 lysozyme mutant L99A in complex with 1-bromanyl-4-fluoranyl-benzene | Descriptor: | 1-bromanyl-4-fluoranyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
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 | Descriptor: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lx9 by Molmil](/molmil-images/mine/7lx9) | T4 lysozyme mutant L99A | Descriptor: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7loj by Molmil](/molmil-images/mine/7loj) | T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lod by Molmil](/molmil-images/mine/7lod) | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | Descriptor: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7log by Molmil](/molmil-images/mine/7log) | T4 lysozyme mutant L99A in complex with 3-butylpyridine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lxa by Molmil](/molmil-images/mine/7lxa) | T4 lysozyme mutant L99A | Descriptor: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lx6 by Molmil](/molmil-images/mine/7lx6) | T4 lysozyme mutant L99A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lx7 by Molmil](/molmil-images/mine/7lx7) | T4 lysozyme mutant L99A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-phenylethoxy)phenol, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lx8 by Molmil](/molmil-images/mine/7lx8) | T4 lysozyme mutant L99A | Descriptor: | 1-chloro-2-(methylsulfanyl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6WY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wy1 by Molmil](/molmil-images/mine/6wy1) | Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope | Authors: | Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. | Deposit date: | 2020-05-12 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies. Sci Adv, 7, 2021
|
|
6EEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eez by Molmil](/molmil-images/mine/6eez) | |
2P5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p5h by Molmil](/molmil-images/mine/2p5h) | sPLA2 inhibitor 9 | Descriptor: | pip9 | Authors: | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | Deposit date: | 2007-03-15 | Release date: | 2007-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
|
|
2P5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p5j by Molmil](/molmil-images/mine/2p5j) | sPLA2 inhibitor pip 17 | Descriptor: | pip17 | Authors: | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | Deposit date: | 2007-03-15 | Release date: | 2007-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
|
|
1N9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n9u by Molmil](/molmil-images/mine/1n9u) | Differences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship | Descriptor: | Angiotensin I | Authors: | Spyroulias, G.A, Nikolakopoulou, P, Tzakos, A, Gerothanassis, I.P, Magafa, V, Manessi-Zoupa, E, Cordopatis, P. | Deposit date: | 2002-11-26 | Release date: | 2003-07-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship. Eur.J.Biochem., 270, 2003
|
|
1N9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n9v by Molmil](/molmil-images/mine/1n9v) | Differences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship. | Descriptor: | Angiotensin II | Authors: | Spyroulias, G.A, Nikolakopoulou, P, Tzakos, A, Gerothanassis, I.P, Magafa, V, Manessi-Zoupa, E, Cordopatis, P. | Deposit date: | 2002-11-26 | Release date: | 2003-07-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship. Eur.J.Biochem., 270, 2003
|
|
2H4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h4c by Molmil](/molmil-images/mine/2h4c) | Structure of Daboiatoxin (heterodimeric PLA2 venom) | Descriptor: | Phospholipase A2-II, Phospholipase A2-III | Authors: | Gopalan, G, Thwin, M.M, Gopalakrishnakone, P, Swaminathan, K. | Deposit date: | 2006-05-24 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and pharmacological comparison of daboiatoxin from Daboia russelli siamensis with viperotoxin F and vipoxin from other vipers. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
1AAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aaf by Molmil](/molmil-images/mine/1aaf) | NUCLEOCAPSID ZINC FINGERS DETECTED IN RETROVIRUSES: EXAFS STUDIES ON INTACT VIRUSES AND THE SOLUTION-STATE STRUCTURE OF THE NUCLEOCAPSID PROTEIN FROM HIV-1 | Descriptor: | HIV-1 NUCLEOCAPSID PROTEIN, ZINC ION | Authors: | Summers, M.F, Henderson, L.E, Chance, M.R, Bess Junior, J.W, South, T.L, Blake, P.R, Sagi, I, Perez-Alvarado, G, Sowder, R.C, Hare, D.R, Arthur, L.O. | Deposit date: | 1992-04-06 | Release date: | 1994-01-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Nucleocapsid zinc fingers detected in retroviruses: EXAFS studies of intact viruses and the solution-state structure of the nucleocapsid protein from HIV-1. Protein Sci., 1, 1992
|
|
1HP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hp9 by Molmil](/molmil-images/mine/1hp9) | kappa-Hefutoxins: a novel Class of Potassium Channel Toxins from Scorpion venom | Descriptor: | kappa-hefutoxin 1 | Authors: | Srinivasan, K.N, Sivaraja, V, Huys, I, Sasaki, T, Cheng, B, Kumar, T.K.S, Sato, K, Tytgat, J, Yu, C, Brian Chia, C.S, Ranganathan, S, Bowie, J.H, Kini, R.M, Gopalakrishnakone, P. | Deposit date: | 2000-12-12 | Release date: | 2002-08-28 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | kappa-Hefutoxin1, a novel toxin from the scorpion Heterometrus fulvipes with unique structure and function. Importance of the functional diad in potassium channel selectivity. J.Biol.Chem., 277, 2002
|
|
1EMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1emu by Molmil](/molmil-images/mine/1emu) | |